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smiles,activity,HIV_active
O=P(Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1,CI,0
CC(C)CCS(=O)(=O)O,CI,0
CCCCCCCCCCCCNP(=S)(NCCCCCCCCCCCC)NCCCCCCCCCCCC,CI,0
S=C1NCCS1,CI,0
[N-]=[N+]=CC(=O)OCC(N)C(=O)O,CI,0
CCCCCOB(OCCCCC)OCCCCC,CI,0
CC(C)C(C(=O)O)C(=O)O,CI,0
O=S(=O)(O)CO,CI,0
O=S(=O)(O)CC(S(=O)(=O)O)S(=O)(=O)O,CI,0
CN(C)c1ccc(N=O)cc1,CI,0
CCC(C)OC(=O)c1ccccc1C(=O)O.COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5C4C3,CI,0
CCCCN=c1ssc(=O)n1CCCC,CI,0
CCS(=O)(=O)c1cc(O)nc(O)n1,CI,0
Clc1nc(Cl)nc(Nc2ccccc2Cl)n1,CI,0
c1ccc2c(c1)SC1=[S+][Cu-3]3([S+]=C4Sc5ccccc5N43)N12,CI,0
Oc1c(Cl)cc(Cl)c2cccnc12,CI,0
O=C1OC(=O)C2C1C(c1ccccc1)N1C3C(=O)OC(=O)C3C(c3ccccc3)N21,CI,0
Cc1ccc(S(=O)(=O)Nc2cccc3c(O)ncnc23)cc1,CI,0
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O,CI,0
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl,CI,0
O=C(O)c1ccc(S(=O)(=O)O)o1,CI,0
CC1CCCC2(C1)OCC(O)CO2,CI,0
Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O,CM,1
O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21,CI,0
O=C(O)c1cc(N=Nc2cccc([N+](=O)[O-])c2)ccc1O,CI,0
Cc1c(C2(c3cc(C(C)C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1Br,CM,1
N#CN(CS(=O)(=O)O)C(=N)N,CI,0
CC(CN(C)C)Sc1nnc(SC(C)CN(C)C)s1,CI,0
Ic1nc(-c2ccccc2)[nH]c1I,CI,0
Cc1cc(=O)oc2cc(O)ccc12,CI,0
COc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(OC)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O,CA,1
CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccc(S(=O)(=O)O)cc2)cc1,CI,0
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,CI,0
CC1=CC(C)=Nc2cc(Cl)ccc2N1,CI,0
N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1,CI,0
OC1CN=C2C=CC=CN2C1,CI,0
CC(=O)C(CCC(=O)O)(CCC(=O)O)C(C)C,CI,0
Cc1cnc2cc(Cl)ccc2c1NCCN(CC(C)C)CC(C)C.O=P(O)(O)O,CI,0
CCOC(=O)COc1c(C)cc(SSc2cc(C)c(OCC(=O)OCC)c(C)c2)cc1C,CI,0
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,CI,0
CCCCCCCCCCCC(C(=O)O)C(=O)O,CI,0
COc1ccc(C(C#N)=Cc2cccc([N+](=O)[O-])c2)cc1,CI,0
Nc1cccc(P(N)(N)=O)c1,CI,0
NC(CSSCC(N)C(=O)O)C(=O)O,CI,0
OC(c1ccccn1)c1c(Cl)cccc1Cl,CI,0
CC(=O)c1c(O)nc2cc(Cl)ccc2c1O,CI,0
COc1ccc2nc3c(c(NCCCN(C)C)c2c1)CCCC3,CI,0
CN(C)S(=O)(=O)N1C(=O)c2ccccc2C1=O,CI,0
COc1ccc(C(=O)C2=NON3OC23C(=O)c2ccc(OC)cc2)cc1,CI,0
NC(=O)NCOC(=S)SSSC(=S)OCNC(N)=O,CI,0
CCC1(CC)COP(=S)(S)OC1,CI,0
CC(C)N1CSC(=S)NCCNC(=S)SC1,CI,0
O=C(c1ccccc1)N1CN(C(=O)c2ccccc2)CN(C(=O)c2ccccc2)C1,CI,0
S=C(NC1CCCCC1)SSSC(=S)NC1CCCCC1,CI,0
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1,CI,0
CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O,CI,0
COc1ccc(C(C#N)=Cc2ccc(N(C)C)cc2)cc1,CI,0
Cc1ncc2c(c1O)COC2=O,CI,0
CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3n(-c3ccccc3)c2c1,CI,0
Cc1ccc(C(=O)O)c(O)c1,CI,0
COc1cc(C2CC(=O)c3ccccc3O2)ccc1O,CI,0
CCCCN(CCCC)NC(=S)Nc1ccccc1,CI,0
CCC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)OC)c4n1[Cu-3]31n3c(c(C)c(CC)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)OC)=C2C,CI,0
CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CI,0
O=C1CC(=O)N(CCc2ccncc2)C(=O)N1CCc1ccncc1,CI,0
C=Cc1cc[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cc1,CI,0
c1ccc(Cn2cc(CCc3ccncc3)c3ccccc32)cc1,CI,0
Sc1cnnc2ccccc12,CI,0
CC1CCC(=NNS(=O)(=O)c2ccc(N)cc2)CC1,CI,0
CCC1(O)CCCC2C3CCC4CC(=O)CCC4(C)C3C(=O)CC21C,CI,0
C=Cc1ccccn1,CI,0
N=C(N)Nc1ccc(-c2ccc(NC(=N)N)cc2)cc1.O=S(=O)(O)O,CI,0
O=C(O)CS(=O)(=O)O,CI,0
CC(=O)C1=C(C)C2=Cc3c(C(C)=O)c(C)c4n3[Fe-3]35(Cl)n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25,CM,1
S=C1NCCNC(=S)SS1,CI,0
CC1(C)c2ccccc2-c2nc3ccccc3cc2C1N1CCOCC1,CI,0
CCN(CC)CCOc1ccc(C(O)(Cc2ccc(OC)cc2)c2ccccc2)cc1,CI,0
CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CI,0
O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O,CI,0
CCOS(=O)(=O)O.CC[N+]1(C)CSC(=S)N(C)C1,CI,0
O=C(O)C1CC2=C(CN1)Cc1ccccc12,CI,0
O=C(O)C1S[Bi](SC(C(=O)O)C(S[Bi]2SC(C(=O)O)C(C(=O)O)S2)C(=O)O)SC1C(=O)O,CI,0
Oc1ccc(CCC2CCNc3ccccc32)cc1,CI,0
c1ccc2c(c1)CCN(NCCN1CCCC1)C2,CI,0
CC(=O)NC(CC(C)C(C)=O)C(=O)O,CI,0
CC1OC(=O)C2CC3CCCCC3C(C=CC3CCCC(C)N3C)C12,CI,0
C=C(C)COC(=O)C1CC2OC2CC1C(=O)OCC(=C)C,CI,0
C=C(C)COC(=O)C1C2CC(C3OC23)C1C(=O)OCC(=C)C,CI,0
CCCCOP(=S)(OCCCC)SC1(SC)SSC=C1CC(C)(C)C,CI,0
Cc1c(Cl)c(=O)oc2cc(O)ccc12,CI,0
O=C(CCBr)N1CCN(C(=O)CCBr)CC1,CI,0
O=C(O)C1C2c3ccccc3C(O)C1(C(=O)O)c1ccccc12,CI,0
Cc1ccc([B-2]2(c3ccc(C)cc3)=NCCO2)cc1,CI,0
N=C1N(c2ccccc2)C(N)(N)SSC(N)(N)N1c1ccccc1,CI,0
NNC(=S)SSC(=S)NN,CI,0
CN(C)C(=O)C(CC[N+]1(C)CCCC12CCCCC2)(c1ccccc1)c1ccccc1,CI,0
O=C1CCC2N[Cu-2](O1)OC2=O,CI,0
COc1cc(OC)cc(C2(C(=O)O)CCN(C)CC2)c1,CI,0
CN(C)CCOCn1nnc2ccccc21,CI,0
ClCC=CC[N+]12CN3CN(CN(C3)C1)C2,CI,0
CC1(C)OC(=O)NC1=O,CI,0
CN(CC(O)C(O)CN(C)C(=S)S)C(=S)S,CI,0
CC(=O)Nc1ncc([N+](=O)[O-])s1,CI,0
CN(C)c1ccc(C(c2c(O)c3ccc(O)cc3oc2=O)c2c(O)c3ccc(O)cc3oc2=O)cc1,CI,0
CCOP(=S)(S)OCC.C[S+]=c1cc(-c2ccccc2)ss1,CI,0
O=C(O)CCc1ccc(NC(=O)CN(CCO)CCO)cc1,CI,0
COC(=O)C1C(=O)N(C)c2cc(C)c(C)cc2C1(C)C,CI,0
CSC(=Nc1cc2ccccc2c2ccccc12)NC#N,CI,0
C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.O=[N+]([O-])O,CI,0
Cc1ccc2cc1NC(=O)N1CCN(CC1)C(=O)Nc1cc(ccc1C)NC(=O)N1CCN(CC1)C(=O)N2,CI,0
O=C1Nc2ccc(cc2)Cc2ccc(cc2)NC(=O)N2CCN(CC2)C(=O)Nc2ccc(cc2)Cc2ccc(cc2)NC(=O)N2CCN1CC2,CI,0
C=C(C)CN(CC(=C)C)C(=N)OCC1CCCO1,CI,0
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC(C)=O)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(=O)C(C)C)C(C)O3)C(O)C(C)O2)C(O)C(C)O1,CI,0
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1,CI,0
Nc1ccc(S(=O)(=O)C(=O)O)cc1,CI,0
CSc1cnnc2ccccc12,CI,0
COc1cc2nncc(SC)c2cc1OC,CI,0
Cn1c(=O)cc(O)c2ccccc21,CI,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=NC(C)c3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NC(C)c3ccccc3)c2c1O,CI,0
O=C(C=Cc1ccccc1)c1ccc(Oc2ccccc2)cc1,CI,0
Cc1c(Cc2ccccc2)c(=O)oc2cc(O)ccc12,CI,0
CN1C2CCC1CC(O)C2,CI,0
N=C(OC1CCCCC1)N1CCCC1,CI,0
Nc1cccc2cn[nH]c12,CI,0
Oc1ccccc1SSc1ccccc1O,CI,0
O=C(Nc1ccc2c(O)c(N=Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)c(S(=O)(=O)O)cc2c1)c1ccccc1,CM,1
Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(O)c(N=Nc3ccc4cc(S(=O)(=O)O)ccc4c3)c(S(=O)(=O)O)cc2c1,CM,1
COc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5c(N)ccc6cc(S(=O)(=O)O)ccc56)c(S(=O)(=O)O)cc4c3)ccc2c1O,CA,1
CC1(c2ccccc2)OC(=O)c2ccccc21,CI,0
CCOC(=O)C1=C2N=C(O)C(C(=O)OCC)=C2N=C1O,CI,0
COc1c2occc2cc2ccc(=O)oc12,CI,0
O=C1CCCCCCCCCCCC(=O)OCCO1,CI,0
CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,CI,0
CC1=NN(c2ccc(Cl)cc2S(=O)(=O)O)C(=O)C1N=Nc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1,CM,1
O=[N+]([O-])c1ccc(N=Nc2c(O)c(N=Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)cc(N=Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c34)c2O)cc1,CM,1
O=S(=O)(O)c1cccc(N=Nc2ccc(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)c3ccccc23)c1,CM,1
O=S(=O)(O)c1cc2nc3c4cccc(S(=O)(=O)O)c4c(Nc4ccccc4)cc3[n+](-c3ccccc3)c2cc1Nc1ccccc1,CM,1
Cc1cc(NC(=O)Nc2ccc(N=Nc3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1,CM,1
COc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc(S(=O)(=O)O)cc5C)c(S(=O)(=O)O)cc4c3)ccc2c1O,CA,1
Nc1ccc(N=Nc2ccc(N=Nc3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4O)c4ccc(S(=O)(=O)O)cc34)c3ccc(S(=O)(=O)O)cc23)cc1,CA,1
CSS(=O)(=O)C(c1ccccc1)c1ccccc1,CI,0
CN(C)C(C(N)=O)c1ccccc1,CI,0
c1ccc(N2N=NC3C4CCC(C4)C32)cc1,CI,0
Cc1n(Cc2ccc([N+](=O)[O-])cc2)c2c([n+]1-c1ccccc1)C(=O)c1ccccc1C2=O,CI,0
O=C(NNC(=O)c1ccncc1)c1ccncc1,CI,0
Cc1cc(C=Cc2ccnc3ccccc23)ccc1N(C)C,CI,0
CCCCOC(=O)C1CC2OC2CC1C(=O)OCCCCOC(=O)C1CC2OC2CC1C(=O)OCCCC,CI,0
C[N+](C)(C)CC1C2C=CC(C2)C1CO,CI,0
O=C1OC(C(O)CO)C(O)=C1Nc1ccc(S(=O)(=O)c2ncc(NC3=C(O)C(C(O)CO)OC3=O)s2)cc1,CI,0
CCC(C)=C1CC(C)(C)N=C1C,CI,0
C=C(C)C1=NC(C)(C)CC1=C(C)C,CI,0
CC1(C)CC2CCC(O)C2C(CCO)N1,CI,0
C1COCCO1.CC(C)NC(=N)NC#N,CI,0
O=C(CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1,CI,0
CCC(c1ccc(OC(C)=O)c(CC(Br)CBr)c1)C(CC)c1ccc(OC(C)=O)c(CC(Br)CBr)c1,CI,0
CC(C=Cc1ccc(N(C)C)cc1)=NNC(=S)NCC(C)C,CI,0
O=C1c2ccccc2-c2cc(N3C(=O)C=CC3=O)ccc21,CI,0
CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CSSCC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)OCC,CI,0
Cc1ccc(-c2cc(-c3ccccc3)[s+]c3ccc(C)cc23)cc1.O=P(O)(O)O,CI,0
CN(C)CC1CCCC1=O,CI,0
OC1COC(c2ccccc2)OC1C1OC(c2ccccc2)OC2COC(c3ccccc3)OC21,CI,0
CN(C)CC(=O)C1C(=O)N(C)c2ccccc21,CI,0
CCOC(=O)C(c1ccccc1)[N+](C)(C)C,CI,0
COc1cc2c(c(OC)c1O)C(=O)CC(c1ccc(O)cc1)O2,CI,0
N#CC1C2C=CC(CCC2)C1C#N,CI,0
ON=C1CCCC(=NO)C1=NO,CI,0
CCN(CC)CCCC(C)Nc1cc(-c2ccccc2)nc2cc(Cl)ccc12.O=P(O)(O)O,CI,0
CCCCN(CCCC)C1CCC(Nc2ccnc3cc(Cl)ccc23)CC1,CI,0
COc1cc(NCCCNCC(C)(C)C)c2ncccc2c1,CI,0
CC(C)CC1NC(=O)C(CC(C)C)N(CO)C1=O,CI,0
O=C1NNC=Nc2ccc(cc2)S(=O)(=O)c2ccc(cc2)N=CNNC1=O,CI,0
NNC(=O)C(O)C(O)C(=O)NN,CI,0
CCCC(NCCCCCCNC(CCC)C(=O)O)C(=O)O,CI,0
CCC(C)c1c(NC(C)=O)o[nH]c1=O,CI,0
CCCCCn1cnc2c(S)nc(N)nc21,CI,0
CNP1(NC)=NP(NC)(NC)=NP(NC)(NC)=NP(NC)(NC)=N1,CI,0
CN(c1ccccc1)P1(Cl)=NP(Cl)(Cl)=NP(Cl)(N(C)c2ccccc2)=NP(Cl)(Cl)=N1,CI,0
COc1c(O)cc2c(c1O)C(=O)C1=C(CCCC1)C2=O,CI,0
CCCCn1[nH]c(=O)ccc1=O,CI,0
CSCS(=O)CC(CO)NC(=O)C=Cc1c(C)nc(O)nc1O,CI,0
N=c1[nH]c(=N)c2cnnn2[nH]1,CI,0
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2C(O)C(O)C(O)CO,CI,0
O=C(Nc1nccs1)c1ccc(C(=O)Nc2nccs2)cc1,CI,0
Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1Br,CI,0
Cc1cc2c(cc1C)NC(=O)CC(=O)N2,CI,0
C=C(C)P(=O)(OC(C)CCl)OC(C)CCl,CI,0
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,CI,0
CC(CCC(=O)O)CCC(=O)O,CI,0
CC(=O)O.CCC(N)Cc1c[nH]c2ccccc12,CI,0
Cc1c2ccccc2n[c-](CSc2n[nH]c(=S)s2)[n+]1=O,CI,0
COc1cc2nncc(SCc3ccc(Cl)c(Cl)c3)c2cc1OC,CI,0
Sc1nncc(SCc2ccccc2)c1SCc1ccccc1,CI,0
COC(=O)c1ccc(N2CCOS(=O)OCC2)cc1OC(=O)c1ccccc1,CI,0
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(O)C(O)C(Nc2ncnc3[nH]cnc23)OC1C(O)CO,CI,0
O=C(Nc1ccc(Sc2ccc(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1)c1ccc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2O)cc1,CI,0
NNc1cnnc(O)c1Cl,CI,0
Oc1cnnc2ccc(F)cc12,CI,0
Sc1ccc2nncc(S)c2c1,CI,0
O=c1c(Cl)c(N2CCCCC2)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccccc2)c(N2CCCCC2)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccc(Cl)cc2Cl)c(SCc2ccc(Cl)cc2Cl)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccc(Cl)c(Cl)c2)c(SCc2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccc(Br)cc2)c(SCc2ccc(Br)cc2)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccccc2Cl)c(SCc2ccccc2Cl)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccc(Cl)cc2)c(SCc2ccc(Cl)cc2)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccccc2F)c(SCc2ccccc2F)cnn1-c1ccccc1,CI,0
O=c1c(SCc2cccc(F)c2)c(SCc2cccc(F)c2)cnn1-c1ccccc1,CI,0
CCC(C)(C)c1ccc(OP(=S)(S)Oc2ccc(C(C)(C)CC)cc2)cc1,CI,0
O=C1CCS(=O)(=O)O1,CI,0
COc1ccc(NC2(Br)C(=O)NC(=O)NC2C(=O)O)cc1,CI,0
O=C1NC(=O)C2(Br)Nc3ccc(Br)cc3C(=O)C2N1,CI,0
CC(C)=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,CI,0
O=c1cc(CO)[nH]cc1O,CI,0
CN=C(c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NC)N4CCOCC4)cc3)c(Cl)c2)cc1)N1CCOCC1,CI,0
CCCCNc1cc(Nc2ccc(Br)cc2)nc(N)n1,CI,0
O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(F)c(C(=O)Nc2ccc(C3=NCCN3)cc2)c1,CI,0
S=c1[nH]nc2ccccn12,CI,0
CC(=NO)C1CCC2C3CCC4CC(=NO)CCC4(C)C3C(C)(O)CC12C,CI,0
O=P1(Nc2ccccc2)NCCCO1,CI,0
COc1cc(SSc2cc(OC)cc([N+](=O)[O-])c2N)c(N)c([N+](=O)[O-])c1,CM,1
N#Cc1c(N)nc(N)nc1Nc1ccc(I)cc1,CI,0
N=C(N)NN=C(c1ccc(F)cc1)C1CC1,CI,0
NC(=O)CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CI,0
N=C(NNS(=O)(=O)c1ccccc1)C(F)(F)F,CI,0
O=S(=O)(O)CCCCO,CI,0
Cc1nc(C(=O)O)c(C(=O)O)[nH]1,CI,0
CCC1CN2CCc3c([nH]c4ccccc34)C2CC1C(=COC)C(=O)OC,CI,0
O=C(O)C1CC(C(=O)O)SS1,CI,0
Oc1cc2c(Cl)cccc2nn1,CI,0
Cn1c(=O)c2c(=O)c(=O)[nH][nH]c2n(C)c1=O,CI,0
Cc1ccc(N2CN(c3ccc(C)cc3)CC(C)(N)C2)cc1,CI,0
O=C(c1ccc(OC(=O)c2ccccc2O)cc1)c1ccc(OC(=O)c2ccccc2O)cc1,CI,0
c1ccc2c(c1)Nc1ccccc1O2,CI,0
c1ccc2cc3c(cc2c1)Cn1c-3nc2ccccc21,CI,0
O=C(NCCCCCCNC(=O)c1ccccn1)c1ccccn1,CI,0
O=S(=O)(Cc1ccccc1)SCc1ccccc1,CI,0
CC(=NNC(N)=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O,CI,0
CCN(CC)CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O,CI,0
COc1cccc(C2CCCC(C#N)C2=N)c1OC,CI,0
Cc1c(C)c(CC(C)(COS(C)(=O)=O)COS(C)(=O)=O)c(C)c(C)c1CC(C)(COS(C)(=O)=O)COS(C)(=O)=O,CI,0
O=C(CCC(=O)Nc1ccc(C2=NCCN2)cc1)Nc1ccc(C2=NCCN2)cc1,CI,0
CC1(O)CCC2(CCC(C)(O)CC2=O)C(=O)C1,CI,0
COC1=C(N)C(=O)c2ncccc2C1=O,CI,0
NCCCS(=O)(=O)O,CI,0
CC(C)=C1CCC(C)CC1=NNC(N)=S,CI,0
O=[N+]([O-])c1ccc(O)c(C=NNC(=S)Nc2ccc(F)cc2)c1,CI,0
O=P(c1ccccc1)(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1,CI,0
Nc1cnnc(S)c1S,CI,0
Fc1cccc2c(S)cnnc12,CI,0
Sc1cnnc2c(Cl)cccc12,CI,0
[O-][n+]1c2c([n+]([O-])c3c4ccccc4ccc31)-c1cccc3cccc-2c13,CI,0
CN(C)C(=Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N=C(Nc4ccccc4)N(C)C)cc3)cc2)cc1)Nc1ccccc1,CI,0
CN1CCN=C1c1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(C4=NCCN4C)cc3)cc2)cc1,CI,0
CC(C)C(=O)C(C)(C)C(=O)C(C)(C)C(=O)OC(C)(C)C,CI,0
N=c1[nH]n2cnnc2s1,CI,0
Cc1n[nH]c(=S)n1NC=O,CI,0
Cc1nnc2sc(=S)[nH]n12,CI,0
c1ccc(CN2COc3c(ccc4c5c(ccc34)CN(Cc3ccccc3)CO5)C2)cc1,CI,0
O=C(CNC1=NCCN1)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)CNC4=NCCN4)cc3)cc2)cc1,CM,1
COc1cc(N=Nc2ccccc2)ccc1NCS(=O)(=O)O,CI,0
O=[N+]([O-])c1ccc(N=Nc2c(F)cc(NCS(=O)(=O)O)cc2F)cc1,CI,0
CCN1C(=O)CSC1=S,CI,0
CC(C)(C)c1cc(C(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O,CI,0
COP(=O)(OC)C(=O)c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)SCCCSS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
COc1ccc(-c2[nH]c3ccccc3c2-c2ccc(OC)cc2)cc1,CI,0
CSc1nnc2c(=O)n(C)c(=O)n(C)c2n1,CI,0
CCCCCC(=O)OC1(C(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C,CI,0
c1ccc(OCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
O=Cc1ccccc1OCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
BrCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=C(c1ccc([N+](=O)[O-])cc1)c1no[n+]([O-])c1C(=O)c1ccc([N+](=O)[O-])cc1,CI,0
CCC1(c2ccccc2)OCC(=O)NC1=O,CI,0
CC(C)c1oc2ccccc2c1C(=O)c1ccc(O)cc1,CI,0
O=C1NCN(C2CCCCC2)CN1,CI,0
COC1=CC=C2CC(=C1)CCC1C2CCC2(C)C(=O)CCC12,CI,0
C1C2CC3C1C1C[S+]3CC21,CI,0
COc1cc2c(c(OC)c1OC)C1CCCCC1SCC2=O,CI,0
CC(=O)Nc1nnc2c3ccccc3n(C(C)=O)c2n1,CI,0
NC1=NC(c2ccccc2)=CC=C(c2ccccc2)N=N1,CI,0
Sc1ccccc1-n1c(-c2ccccc2)ccc1-c1ccccc1,CI,0
S=P1(c2ccccc2)Nc2ccc(Cl)cc2N1,CI,0
Cc1cc(C)c2c(c1)NP(=S)(c1ccccc1)N2,CI,0
Oc1ccc(S)cc1CNc1ccccc1,CI,0
CC1CCCC=CC2CC(O)CC2C(O)C=CC(=O)O1,CI,0
O=C1CCC(=O)N1N1C(=O)CCC1=O,CI,0
Oc1cc(O)c2ccccc2n1,CI,0
CN(C)c1ccc(C=C2c3ccccc3-c3ccccc32)cc1,CI,0
O=C1O[Cu-3]2(Oc3c(I)cc(I)cc31)Oc1ccc([N+](=O)[O-])c3ccc[n+]2c13,CI,0
Nc1cc(F)c2cccnc2c1O,CI,0
CC1=CC(=O)Nc2cncnc2N1,CI,0
CC(=O)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C,CM,1
CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC21C,CI,0
Cn1c2ccccc2c2c3c(ccc21)C(=O)N(c1ccccc1)C3=O,CI,0
Cc1cccc(Nc2ccccc2C(=O)O)c1C,CI,0
COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1,CI,0
Cn1cnc(=S)c2ccccc21,CI,0
OCC1C(CO)C2CCC1C2(c1ccccc1)c1ccccc1,CI,0
O=C1CNCCCN2CCN(CCCNCC(=O)Nc3ccc(cc3)S(=O)(=O)c3ccc(cc3)NC(=O)CNCCCN3CCN(CCCNCC(=O)Nc4ccc(cc4)S(=O)(=O)c4ccc(cc4)N1)CC3)CC2,CI,0
CCOc1ccc2nc(NC(=O)C3C4CCC(O4)C3C(=O)O)sc2c1,CI,0
CC1CCC2(CCN(CCCN(C)C)CC2)C1,CI,0
CCN1CCCCC(=NO)C(=NO)CCCC1,CI,0
O=C(NC(CSC(c1ccccc1)c1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1,CI,0
c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1,CI,0
O=C(O)C12C(=O)NC(=O)C1(C(=O)O)C21CCCCC1,CI,0
O=S(=O)(O)c1cc(O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c34,CI,0
O=C1CCC2(O1)c1ccc(O)cc1Oc1cc(O)ccc12,CI,0
CCN(CC)C(=S)SCCCS(=O)(=O)O,CI,0
Clc1ccc(C(=C=C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc2)cc1,CI,0
OCC(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO,CI,0
COc1cc2c(cc1OC)C(C)N1CCc3cc(OC)c(OC)cc3C1C2,CI,0
CC1(c2cccc3ccccc23)OC(=O)c2ccccc21,CI,0
Cc1ccc(S[S+](C)c2ccc(C)cc2)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1no[n+]([O-])c1C(=O)OCC,CI,0
CC1(C)C2(C(N)=O)C(=O)NC(=O)C12C(=O)O,CI,0
COC(=O)C1(C(=O)OC)C2(CCCC2)C1(C(=O)OC)C(=O)OC,CI,0
N#CC1(C#N)C(C#N)(C#N)C12CCCCCC2,CI,0
[O-][Cl+3]([O-])([O-])O.c1ccc2c(c1)[nH]c1scc[n+]12,CI,0
[O-][Cl+3]([O-])([O-])O.c1ccc(-c2csc3[nH]c4ccccc4[n+]23)cc1,CI,0
CN1CCc2c(sc(N)c2C#N)C1,CI,0
CN(C)Cc1nc(O)nc(O)c1O,CI,0
CN1CCCC1C(=O)c1oc(CO)cc(=O)c1O,CI,0
CC(=O)Nc1ccc(S(=O)(=O)N=C(C2CCCC2)N2CCCC2)cc1,CI,0
CN1C2CCC1CC(OC(=O)C1CCC(C(=O)OC3CC4CCC(C3)N4C)(c3ccccc3)c3ccccc31)C2.O=S(=O)(O)O,CI,0
O=C(O)Cc1cccc(=O)c(O)c1C(=O)O,CI,0
COc1ccc(C23OC2Oc2cc(OC4CCCCO4)ccc2C3=O)cc1,CI,0
COc1cc(CNCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CI,0
C=CC1CN2CCC1CC2C(=O)c1ccnc2ccccc12,CI,0
Cn1ncc2[nH]c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)c21,CI,0
O=C(NCCCCCCNC(=O)NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1,CI,0
CC1CNC2C(C)C3C(CC4C5CCC6CC(N)CCC6(C)C5CCC43C)OC2(O)C1,CI,0
OC1Cn2cc(Br)c[n+]2C1,CI,0
CCN(CCO)c1ccc(N=O)cc1,CI,0
Nc1nc(O)ncc1F,CI,0
Oc1nc2ccc3nc(O)c4ccc1c2c34,CI,0
COc1ccc2c3c1OC1C4(OC)C=CC5(c6c(OC)ccc(O)c64)C(C2)N(C)CCC315,CI,0
O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccc2nn(-c3ccc(O)cc3)[n+](=O)[c-]2c1,CI,0
CCOC1(OCC)C([N+](=O)[O-])=CC(=[N+]([O-])[O-])C=C1[N+](=O)[O-],CI,0
Nc1ccc(C=CC2(CCl)OCCO2)cc1,CI,0
N#CCC1COc2ccccc2O1,CI,0
O=C(O)CCC1COc2ccccc2O1,CI,0
CC(C=CC(O)=C1C(=O)CNC1=O)=CC(C)C1OC2(C)OC(C(=O)C3OC32C)C1C,CI,0
Cc1nc(N)c2c(n1)C(C)N(C(=O)c1ccccc1)C2,CI,0
NC(=S)NN=Cc1ccc(O)cn1,CI,0
O=C1C=C2C=CC3CC2(O1)C1CCCCN31,CI,0
Cc1nccc2c(C(=O)O)c(C(=O)O)[nH]c12,CI,0
Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1,CI,0
CC1(N)COP(=O)(NCc2ccccc2)OC1,CI,0
O=c1c(=Cc2ccccc2Cl)sc2n1CCN=2,CI,0
NC1(C(=O)O)CSSC1,CI,0
CC(O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC12c3ccccc3C(c3ccccc31)C1C(=O)OC(=O)C12,CI,0
CC(=O)NC(CS)C(=O)O,CI,0
CN1C(=O)C(=NNC(=O)Cc2c[nH]c3ccccc23)c2ccccc21,CI,0
S=C(Nc1ccccn1)Nc1ccccn1,CI,0
CN1CCC2(CC1)C(C#N)C(=O)NC(=O)C2C#N,CI,0
C=CN1CCCC1=O,CI,0
Oc1cnnc2c(Cl)cccc12,CI,0
Oc1cnnc2c(F)cccc12,CI,0
Oc1cnnc2ccc(Br)cc12,CI,0
COc1cc2nncc(Sc3cnnc4ccccc34)c2cc1OC,CI,0
Sc1cc(S)c(S)nn1,CM,1
Cc1cc(Nc2ccc(N=Nc3ccc(O)c4ncccc34)cc2)nc(C)n1,CI,0
CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O,CI,0
O=[N+]([O-])c1ccc(N=Nc2ccc3c(c2)-c2ccccc2C3=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
CN(C)CCC(O)(Cc1ccccc1)c1ccco1.O=C(O)C(=O)O,CI,0
CC(=CC=C(C)C(=O)O)C(=O)O,CI,0
O=C1CC2(CCN(Cc3ccccc3)CC2)CC(=O)N1,CI,0
NC(=O)ON=Cc1ccccn1,CI,0
O=C1OCc2cc[n+]([O-])cc21,CI,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1O,CI,0
c1ccc(N2CC3CSc4ccc5ccccc5c4C3=N2)cc1,CI,0
O=[N+]([O-])c1cccc(C2ON2C2CCCCC2)c1,CI,0
Cc1ccc([PH](Cc2ccc([N+](=O)[O-])cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1,CI,0
CCOc1ccc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2=C(O)C(=O)c3ccccc3C2=O)cc1OC,CI,0
COC(=O)c1cc(C(=O)O)c(=O)n2ccccc12,CI,0
CC(=O)Oc1cccc2c1C(=O)C1CC(O)C(O)C3OC(C)(C)OC2(C)C13,CI,0
CC(=O)OC(C)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
COC1=CC2OC3OC(=O)CC3C2C(OCc2ccccc2)=C1,CI,0
CCOC(=O)C1CSSCC(N)C(=O)N1,CI,0
O=C1OC2=C(c3ccccc3)C(=O)OC2=C1c1ccccc1,CI,0
Oc1csc2n(-c3ccccc3)c3ccccc3[n+]12,CI,0
CC(C)c1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
O=C(O)CC1OCC=C2CN3CCC45c6ccccc6NC4C1C2CC35,CI,0
c1ccc(CSCSCc2ccccc2)cc1,CI,0
Clc1ccc(CNNCc2cccc(Cl)c2)cc1,CI,0
CCOC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)OCC,CI,0
COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,CI,0
COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O,CI,0
CC(=O)N1C(=O)C2(NCCCN2)c2ccccc21,CI,0
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(C(=O)OC)C4CCC3(C)C1(CO)CC2,CI,0
CC1Cc2c(nc3n(c2=O)CCCCC3)O1,CI,0
N=C1NNC(=O)C1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CI,0
Cc1ccc(C)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0
O=C1CCC2CN3CCc4c([nH]c5ccccc45)C3CC2C1,CI,0
CC1(C)NC(=N)NC(=N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1.CCS(=O)(=O)O,CI,0
CCCCOC(=O)c1ccc(N)cc1,CI,0
CCOC(=O)CN(c1sc(C)c(C)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1,CI,0
CCOC(=O)c1cc2c(=O)cccnc2o1,CI,0
COc1cc2nc3c(nc2cc1OC)-c1ccccc1C3=O,CI,0
O=[N+]([O-])c1cc[n+]([O-])cc1,CI,0
CN1CCC2CCCCN2CC1=O,CI,0
Cc1ccc(S(=O)(=O)N=S(C)c2cccc(Cl)c2)cc1,CI,0
O=Nc1ccc(C=C2C(=O)C=CC2=O)cc1,CI,0
CCOP(=O)(OCC)ON=Cc1cccc(C(F)(F)F)c1,CI,0
c1ccc(-c2onc3c2CCCC3)cc1,CI,0
CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CC(=O)C1(N=Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)CCOC1=O,CI,0
CC1C=C2c3ccccc3CC2C2C(=O)OC(=O)C12,CI,0
CC(=O)Oc1ccc2c(c1)Cc1cc(N=[N+]([O-])c3ccc4c(c3)Cc3cc(OC(C)=O)ccc3-4)ccc1-2,CI,0
CCN1C(=O)C(C)C=C(C)C=C1C,CI,0
O=c1c(-c2ccccc2)c(S)sc(S)c1-c1ccccc1,CI,0
CN1C2CCCC1CC(=O)NC2,CI,0
CCCCCCCCCCCCCCCC(=O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O,CI,0
CCOC(=O)CN1C(=O)C(=O)c2ccccc21,CI,0
COC(=O)C(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
COC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C,CI,0
COc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1OC,CI,0
c1ccc(-c2nc3c(N4CCOCC4)ncnc3o2)cc1,CI,0
O=C(Nc1ccccc1)C(c1ccccc1)N(Nc1ccccc1)c1ccccc1,CI,0
O=C1CC(=O)Nc2ccccc2N1,CI,0
CC1C(=O)CC2C3(C)CCC2(C(C)C(=O)O)C(=O)C13,CI,0
CCS(=O)(=O)O.CN(C)C(=O)c1cccc(COc2ccc(N3C(=N)NC(=N)NC3(C)C)cc2Cl)c1,CI,0
CC(=O)c1c(O)cc(C)oc1=O,CI,0
COC12CCCC1S(=O)(=O)C2,CI,0
c1ccc2c(c1)C1=NCCN1c1ccccc1-2,CI,0
COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4,CI,0
S=C(NCCSSCCNC(=S)Nc1ccccc1)Nc1ccccc1,CI,0
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(O)C(OC3CC(C)(O)C(O)C(C)O3)C(C)O2)C(O)C(C)O1,CI,0
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCNCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCC(O)(Cc6ccccc6)CC5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CC(C)(C)C5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(Cc5ccccc5)Cc5ccccc5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCN(CCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCCC5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
C=CCN(CC=C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCCN(CCCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)Cc5ccccc5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C(C)C)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCN(CC)CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCCC5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCOCC5C)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CCCCC(=O)O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NO)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nc5ccc6ccccc6c5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nc5ccccc5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCC(N6CCCCC6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCOCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOCCO)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CM,1
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOC(c5ccccc5)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COc1ccc(C=C2CSCC(=Cc3ccc(OC)c(OC)c3)C2=O)cc1OC,CI,0
[O-][n+]1ccc(S)c2ccccc21,CI,0
CC1(C)C=CC(C)(C)c2c(NS(=O)(=O)c3ccccc3)ccc(NS(=O)(=O)c3ccccc3)c21,CI,0
Cc1nn(C)c2c1NC(=O)CS2,CI,0
Cc1cc(C)c(C(=O)c2no[n+]([O-])c2C(=O)c2c(C)cc(C)c(Br)c2C)c(C)c1Br,CI,0
Cc1nnc2ccc(Br)cc2c1O,CI,0
Oc1cnnc2c(Br)cc(Br)cc12,CI,0
Oc1cnnc2cc(Cl)ccc12,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCOC(=O)C(N=O)C(=O)c1ccccc1,CI,0
C1CC[N+]23CCCC(C2)C3C1.Cc1ccc(S(=O)(=O)O)cc1,CI,0
O=C(O)CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=S(=O)(F)c1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCN)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1.O=S(=O)(O)O,CI,0
O=C(O)c1cscc1-c1cccc2ccccc12,CI,0
O=C1c2ccsc2C(=O)c2ccsc21,CI,0
O=C1c2sccc2-c2cccc3cccc1c23,CI,0
CCOC(=O)c1sc(C(=O)O)cc1-c1cccs1,CM,1
OC(c1ccsc1)c1ccsc1,CI,0
O=C(O)c1cc(-c2cccs2)c(C(=O)O)s1,CI,0
O=C(O)c1sccc1Cc1ccsc1,CI,0
O=[N+]([O-])c1ccc(NN=CC(c2ccccc2)c2ccsc2)c([N+](=O)[O-])c1,CI,0
c1ccc([B-]2(c3ccccc3)[n+]3ccccc3-c3cccc[n+]32)cc1,CI,0
O=C1c2ccccc2C(=O)C1(Cl)C(Cl)c1ccc([N+](=O)[O-])cc1,CI,0
[O-][Cl+3]([O-])([O-])O.c1ccc2c(c1)[nH]c1cc[s+]cc12,CI,0
Cc1ccc2[s+]cc3c4ccccc4[nH]c3c2c1.[O-][Cl+3]([O-])([O-])O,CI,0
COc1ccc2c(c1)[nH]c1c3ccccc3[s+]cc21.[O-][Cl+3]([O-])([O-])O,CI,0
Cc1c(N)nc(C2CC(=O)N2CC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCNCC(C)O)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1,CI,0
O=[N+]([O-])C=Cc1cc2ccccc2[nH]1,CI,0
COC(=O)C1=CCCCCCC(N2CCOCC2)=C1C(=O)OC,CI,0
O=C(NO)c1ccc(C(=O)NO)c(Br)c1,CI,0
Cn1[nH]c(=N)c2cn(C3OC(CO)C(O)C3O)c3ncnc1c23,CM,1
COc1cc2c(cc1OC)C(CN)C2,CI,0
COc1ccc(NC2=CC(C)(C(=O)O)OC2=O)cc1,CI,0
COc1cc(Nc2c3ccccc3nc3ccccc23)ccc1NS(C)(=O)=O.CS(=O)(=O)O,CI,0
c1ccc(C2=C(c3ccccc3)C23SCCS3)cc1,CI,0
CCCCCCCC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=O,CI,0
CCCCNC(C)(C)C(SSSC(c1ccco1)C(C)(C)NCCCC)c1ccco1,CI,0
COc1ccc2c(c1O)C13CCN(C)C(C2)C1CCC1(C3)OCCO1,CI,0
Cc1cscc(C)c1=S,CI,0
CCCCCCCCCCCCCCC(F)C(=O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,CI,0
CS(=O)(=O)c1cnnc2ccccc12,CI,0
CNC(=Nc1ccc(OC)c2ccccc12)SC,CI,0
CC(=O)N1c2ccccc2Sc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CI,0
CN(C)c1ccc2nc(CC(O)(C(F)(F)F)C(F)(F)F)ccc2c1,CI,0
C1CCC2(CC1)SSC1(CCCCC1)S2,CI,0
CCC1C(=O)OCc2ccccc21,CI,0
COC(=O)C(CS)NC(=O)CNC(=O)c1ccccc1,CI,0
O=C1C(=C(C(F)(F)Cl)C(F)(F)Cl)C2CCC1C2,CI,0
NN=C1CCN2CCCc3cccc1c32,CI,0
C=CCCCCCCCCC(=O)NC(C)COC,CI,0
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,CI,0
Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1,CI,0
COc1ccc(C2=NN3C(=S)NNC3=NN2)cc1OC,CI,0
Cc1ccc(C2=Nn3c(n[nH]c3=S)NN2)cc1,CI,0
COc1cc(OC)cc(C2=Nn3c(n[nH]c3=S)NN2)c1,CI,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=NNC(=O)c1ccccc1)CC3OC1CC(N)C(O)C(C)O1,CI,0
Cc1cc2c(cc1C)NC(=O)C(C)CN2,CI,0
CCC(=O)N(C)C(C)C(=O)OC1CC(=O)N(C)c2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(=O)N2)C(C)C2OC12C,CI,0
CCCCCCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCCCCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCCCCCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)c5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
C=CCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)c5ccc(N)cc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COc1ccc(C2CCC(=O)CC2C(=O)O)cc1,CI,0
O=C(O)C1CC2(CCC1c1ccccc1)SCCS2,CI,0
COC(=O)C1CC2c3[nH]c4ccccc4c3CCN2C1,CI,0
Cn1c2c(c3ccccc31)C(=O)CC2(C)C,CI,0
CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1CC(=O)N(C)C,CI,0
OCc1ccc[n+](CCc2c[nH]c3ccccc23)c1,CI,0
OCc1ccc2[n+](c1)CCc1c-2[nH]c2ccccc12,CI,0
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)C)C24,CI,0
Cl[Cu]Cl,CI,0
CCOC(=O)CCCN(c1sc(C)c(-c2ccccc2)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCCCCCCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCCCCCCCN(CCCCCCCC)N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CN(C)c1nn2c(-c3ccccc3)nnc2o1,CI,0
COc1cc(C=Cc2nc3ccccc3nc2C=Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CI,0
COc1cc2nc(C(O)C(O)c3nc4cc(OC)c(OC)cc4[nH]3)[nH]c2cc1OC,CI,0
CC1=C2C(=O)c3ccccc3C2=C(C)S(=O)(=O)O1,CI,0
CNC(=O)OCC1=CC(=O)C=C(OC)C1=O,CI,0
O=C(c1ccccc1)C1CSS(=O)(=O)C1c1ccccc1,CM,1
OCCN(CCO)CN(CO)c1nc(N(CO)CN(CCO)CCO)nc(N(CO)CN(CCO)CCO)n1,CI,0
CCC(c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CI,0
CCC(=O)N(c1ccccc1)C1CCN(C(C)Cc2ccccc2)CC1,CI,0
O=C(OCCN1CCSCC1)C(O)(c1ccccc1)c1ccccc1,CI,0
O=C(NP(=O)(N1CC1)N1CC1)c1cc(I)ccc1I,CI,0
CC12CCC(O)CC1=CCC1C2CCC2(C)C1CC1=CC(C#N)C(=O)NC12O,CI,0
COC(=O)C12C=CC(C1)n1c(=O)n(-c3ccccc3)c(=O)n12,CI,0
CN(C)C=Nc1c(C#N)c(CC#N)nn1-c1ccccc1,CI,0
CC1(CC(O)(C(F)(F)F)C(F)(F)F)NC(=O)NC1=O,CI,0
NCCCN1c2ccccc2Sc2ccc(Cl)cc21,CI,0
CC(C)N(C=C(C#N)C#N)C(C)C,CI,0
CN(C)CCC1(c2ccccc2)C=Cc2ccccc21,CI,0
NCCc1ccc(O)c(O)c1,CI,0
CC(CC1c2ccccc2CCc2ccccc21)CN(C)C,CI,0
O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CI,0
CNCCCC1c2ccccc2C=Cc2ccccc21,CI,0
CN(C)c1ccc(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1,CI,0
O=C1C2CCN(CC2)C1CNC1(c2ccccc2)CCCCC1,CI,0
O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CI,0
c1ccc(C2CN3CCSC3=N2)cc1,CI,0
COc1ccc(C2OC(=O)c3ccccc32)c2ccccc12,CI,0
CC(=O)OC1(c2ccccc2)OC(=O)C(C)(C)c2ccccc21,CI,0
CCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)csc1N,CI,0
CN(C)CCC=C1c2ccccc2CSc2ccccc21,CI,0
N=S(=O)(c1ccccc1)c1ccccc1,CI,0
CCCCC(c1nc2c(c3c1CCCC3)CCCC2)C(O)(C(F)(F)F)C(F)(F)F,CI,0
NC(=O)NN=C1CCC(CC2CCCCC2)CC1,CI,0
CN(C)C=NNC(=O)C(O)(c1ccccc1)c1ccccc1,CI,0
O=C(c1ccccc1)C1(c2ccccc2)SSC1(C(=O)c1ccccc1)c1ccccc1,CI,0
CN(C)CC1C(OC(=O)C(O)(c2ccccc2)C2CCCC2)C2CCN1CC2,CI,0
COC1=NS(=O)(=O)C(C)C(C)(C)O1,CI,0
O=C1NC23CC=CCC12CCC3,CI,0
O=C1N(c2ccccc2)SN2C3C=CC(C4CC43)N12,CI,0
NN=C(C=C1C(=O)Nc2ccccc21)c1ccccc1,CI,0
COc1ccc(C=CC(=O)Oc2cc(O)cc(O)c2)cc1,CI,0
Cc1ccc(S(=O)(=O)SS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
N#CC(=Cc1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1,CI,0
N=C(N)NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCCCCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
O=C(c1ccccc1)C(Nc1nc2[nH]c(-c3ccccc3)c(-c3ccccc3)n2n1)c1ccccc1,CI,0
COCn1c2ccccc2c2nc(-c3ccncc3)nc(-c3ccncc3)c21,CI,0
C1=[N+]2CC[N+]3=Cc4ccccc4O[Co-3]23([n+]2ccccc2)Oc2ccccc21,CI,0
O=Cc1c[nH]c2nccnc12,CI,0
COc1ccc(C2Nc3cc(Cl)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1,CI,0
CCC(=O)NC1Cc2cc(C)cc(C)c21,CI,0
Cc1cc(C)c2c(c1)CC2NC(=O)Cc1ccccc1,CI,0
Cc1cc(C)c2c(c1)CC2N,CI,0
COc1ccccc1N1CCCSC1=Nc1ccccc1,CM,1
O=S(=O)(O)SCC1=NCCN1,CI,0
COC(=O)C12C(=CCP1(C)=O)C(c1ccccc1)=NN2c1ccccc1,CI,0
CSc1ncnc2c1C[PH](Cc1ccccc1)(c1ccccc1)CC2,CI,0
CCOC(=O)c1[nH]c2c(OC)n[n+]([O-])cc2c1[N+](=O)[O-],CI,0
CCOC(=O)c1[nH]c2c(OC)n[n+]([O-])cc2c1Br,CI,0
CCOC(=O)C1(Cc2ccccc2)SCCCS1,CI,0
CSc1nc2c(n1-c1ccccc1)C(=O)C(OS(=O)(=O)c1ccccc1)C(=O)N2,CI,0
CC(SC(=N)N)C(=N)N,CI,0
CCCc1cc(O)nc(SCC(=O)O)n1,CI,0
Cc1c(O)c2ccc(Cl)cc2n(C)c1=O,CI,0
O=S(=O)(Cc1ccccc1)C(I)c1ccccc1,CI,0
O=S(CC=CCS(=O)c1ccccc1)c1ccccc1,CI,0
COc1cc(OC)c(C=Cc2ccc3ccccc3[n+]2[O-])c(OC)c1,CI,0
Nc1ncnc2c1Sc1nc(Cl)ccc1N2,CI,0
COc1ccc(Nc2cc(N)nc(N)n2)c(S)n1,CI,0
CCOC(=O)NNP(=O)(NNC(=O)OCC)c1ccccc1,CI,0
CSc1cc(-c2ccc(Cl)cc2)s[s+]1,CM,1
CCOC(=O)c1c(NC(=O)CCl)ssc1=S,CI,0
CCC12C=CCN3CCC4(c5cc(C(c6ccccn6)c6cc7ccccc7n6C)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32,CI,0
O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccc2c(c1)OCO2,CI,0
N#CC(=Cc1cc(Cl)ccc1O)C1CCC([N+](=O)[O-])CC1,CI,0
COc1ccc(Nc2ccc3c4c(cccc24)C(=O)N(c2ccc(OC)cc2)C3=O)cc1,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1C(Cc1ccccc1)c1ccccc1,CI,0
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CCc1ccccn1,CI,0
CCc1ccc(C(C#N)=Cc2cccc3ccccc23)cc1,CI,0
CCc1ccc(C(C#N)=Cc2ccccc2Cl)cc1,CI,0
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CC1CCCO1,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1CC1CCCO1,CI,0
CCc1ccc(C(C#N)=Cc2ccc(OC)cc2)cc1,CI,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN(CCO)CCO,CI,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Cc1ccccc1,CI,0
ClC1c2ccccc2-c2nsnc2C1Cl,CI,0
Cc1ccnc(NC(=O)NC2CCCCC2)c1,CI,0
CSc1ccc(NC(=O)Nc2cc(C)cc(C)n2)cc1,CI,0
O=C(CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccccc1,CI,0
COc1ccc(C(=O)CC(c2ccc(OC)c(OC)c2)c2c(O)c3ccccc3oc2=O)cc1OC,CI,0
COc1ccc2c(c1)CSC(c1ccccc1)C2=O,CI,0
O=c1scc(-c2ccc(C(F)(F)F)cc2)s1,CI,0
COc1ccc(-c2sc(N=Cc3cc(Br)cc(Br)c3O)c(C#N)c2C)cc1OC,CI,0
C(#CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
COc1cccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)C)cc2)c1,CI,0
N#CC1=C(N)CCC(C#N)(c2ccccc2)C1,CI,0
Oc1nc(S)nc(SCc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)n1,CI,0
O=c1c2ccccc2[nH]c(=S)n1-c1ccc(Cl)cc1,CI,0
Cc1ccc(C(=O)C(=C(S)Nc2cccc(Cl)c2)[n+]2ccccc2)cc1,CI,0
Clc1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
C=COCCC(C(=O)OCC)C(=O)OCC,CI,0
O=C(COc1ccc(Cl)cc1)c1ccccc1,CI,0
O=C(NCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1,CI,0
CCCCN1C(=O)C(=O)N(c2ccccc2C(F)(F)F)C1=O,CI,0
NS(=O)(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1,CI,0
COc1ccc(C=NNC(=S)Nc2ccccc2)cc1,CI,0
S=C(NN=Cc1ccccc1Cl)Nc1ccccc1,CI,0
O=C(Nc1ccc2[nH]c(=S)sc2c1)Nc1ccccc1F,CI,0
CC1CC(C)CC(C)C(O)C(C#N)=CC=CCC(C2CCCC2C(=O)O)OC(=O)CC(O)C(C)C1,CI,0
CCCCCCCCN(N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4)C1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1,CI,0
CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,CI,0
CNC(=O)Nc1ccc(Cl)cn1,CI,0
Cc1c(NC(=O)OCc2ccccc2)no[n+]1[O-],CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1S,CI,0
CCNC(=S)NN=C(c1ccc(OC)cc1)P(=O)(OCC)OCC,CI,0
CC(C)(C)C1=CC(=O)C(Cl)(C(C)(C)C)C(Cl)C1=O,CI,0
CN(C)c1ccc(C=Cc2ccnc3c(O)cccc23)cc1,CI,0
O=C(c1ccccc1)c1ccsc1C(=O)O,CI,0
O=C1CCc2c(Cl)sc(Cl)c21,CI,0
CCOC(=O)C(c1ccsc1)C(C(=O)OCC)c1cccs1,CI,0
CC(C)(C)c1ccc(SS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1,CI,0
O=[N+]([O-])NCC(NN[N+](=O)[O-])N[N+](=O)[O-],CI,0
COC1C=COC2(C)Oc3c(C)c(OC(C)=O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=CC=CC(C)C(OC(C)=O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O,CI,0
COC1=NC2=CC(=O)c3c(c(OC(C)=O)c(C)c4c3C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(OC(C)=O)C(C)C=CC=C1C)O4)C2=O,CI,0
O=C1C2=C(C(=O)C3=C1C1CCC3C1)C1CCC2C1,CI,0
Cc1ccc2c(c1)C[P+](c1ccccc1)(c1ccccc1)CCC2C.F[P-](F)(F)(F)(F)F,CI,0
C=CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=C(C=Cc1ccc2c(c1)OCO2)c1ccccc1,CI,0
Cc1cccc(NC(=S)NC(=O)c2ccccc2)n1,CI,0
C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1,CI,0
COc1cc2c(cc1OC)-c1[nH]c(=N)sc1CC2,CI,0
Oc1cc2c(cc1O)-c1[nH]ncc1CC2,CI,0
CCCCCCCCCCCCCCCCCCCCC(C(=O)OCC)S(=O)(=O)O,CI,0
COc1cc2c(c(OC)c1OC)CCC1C(=O)NN=C21,CI,0
COc1cc2c(c(OC)c1OC)-c1oncc1CC2,CM,1
COc1cc2c(c(OC)c1OC)C1=NNC(=O)C1(C)CC2,CI,0
CCCCC(=O)N1C(=O)C(=CN(C)C)c2cc(C=O)ccc21,CI,0
CC[N+]1(CC)CCC(=O)[Pd-2]12[O+]=C(C)CC(C)=[O+]2,CI,0
CC(C)(O)C1CCC2(C)CC(=O)NCCN12,CI,0
COC1C=CC=C(C)C(=O)NC2=CC(=O)C(N)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O,CI,0
COC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=C(C=NN3CCCCC3)C1=O)C2=O,CI,0
Cc1ccc(S(=O)(=O)ON=C(CCC(=NOS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c2ccccc2)cc1,CI,0
C1=CNc2ccccc2N=C1,CI,0
CCN=C1SC2C(=O)N(C)C(S1)C(=O)N2C,CI,0
CNCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COc1ccc(CC#N)c(OCc2ccccc2)c1,CI,0
Nc1ccc(N=O)c(N)n1,CI,0
N=c1[nH]c(Cl)cc2nsnc12,CI,0
Nc1nc(N)c(N=O)c(Nc2ccccc2)n1,CI,0
CNC1=C2NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)C=COC3(C)Oc4c(C)c(O)c(c(c4C3=O)C1=O)C2=O,CI,0
CCOC(=O)Nc1ccc(C=Cc2ccnc3ccccc23)cc1,CI,0
COc1cc(C(Cc2ccnc3ccccc23)Cc2ccnc3ccccc23)ccc1N(C)C,CI,0
CCN(CC)P1OCC(C)O1,CI,0
COc1ccc(OP2OCC(C)O2)cc1,CI,0
CN1CCN(C)P1c1ccccc1,CI,0
CCCC[Sn](CCCC)(CCCC)CS(=O)(=O)O,CI,0
CC1=CC2OC3CC4OC(=O)C=CC=CC(C(C)O)OCC(O)C(C)CC(=O)OCC2(CC1O)C4(C)C31CO1,CI,0
OC1COCC2N3C(=NN12)Sc1ccccc13,CI,0
O=[N+]([O-])c1ccc(C2OCC3CSCN32)cc1,CI,0
COC(CCC(C)C1OC23CC(OC(=O)CC(C(C)O)OC(=O)CC(O)(O2)C(C)CC3(C)C)C1C)c1cccc(O)c1,CM,1
CC1C[PH](c2ccccc2)(c2ccccc2)Cc2ccccc21,CI,0
Cc1cc(NCCCCCCCNc2cc(C)nc3cc(N)ccc23)c2ccc(N)cc2n1,CI,0
CP1(=S)CCC2=C1c1ccc(O)cc1CC2,CI,0
COC1CC(N)C(O)C(CN=[N+]=[N-])O1,CI,0
COc1ccc(CCNc2ccc(NCCc3ccc(OC)c(OC)c3)c3c2C(=O)c2ccccc2C3=O)cc1OC,CI,0
CCCCCCCCCCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(O)C(C)=CC32)C2C(C)(C)C12OC(C)=O,CM,1
NS(=O)(=O)c1ccc(NN=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1,CI,0
OCCN1OCCCC1c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)CC2(Br)CCc3ccccc3C2=O)cc1,CI,0
Cc1ccccc1CN1C2=NCCN2C(=O)C2=C1CCN(S(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C2,CI,0
c1ccc([PH](CCN2Cc3ccccc3C2)(c2ccccc2)c2ccccc2)cc1,CI,0
O=C1C[N+]2(Cc3ccccc3)CCC1CC2,CI,0
OC1(c2ccccc2)CSC2=Nc3ccccc3C3CCN1N23,CI,0
NC(=O)c1c2n(c3ncnc(N)c13)C1OC(CO)C(O)C1S2,CI,0
O=C1CCCCc2scc(C(=O)O)c2N1,CI,0
CSC1=NC(=O)C2(CCCCC2)N(C)N1,CI,0
O=C1CC2(C(=O)N1CN1CCOCC1)c1ccccc1-c1ccccc12,CI,0
O=c1oc2c3c4c(cc2c2c1CCC2)CCCN4CCC3,CI,0
CC(C)N=C1CCCC1C(=S)SSC(=S)C1CCCC1=NC(C)C,CI,0
CCN(C)c1nc(N(C)CC)c2nc(N(C)CC)nc(N(C)CC)c2n1,CI,0
CCC12C=CCN3CCC4(c5cc(C6(C(=O)OC)CCCCCc7c6[nH]c6ccccc76)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32,CI,0
CN1C(=O)C23SSC1(C)C(=O)N2c1ccccc1C3(C)C,CI,0
O=C1Oc2ccccc2C(=O)C1=C1SSC(c2ccccc2)=C1c1ccccc1,CI,0
COc1ccc(-c2coc3cc(O)ccc3c2=O)c(O)c1OC,CI,0
O=C1c2cc(Br)ccc2OC2CCON12,CI,0
C=C(C)C1CCC2(CO)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,CI,0
O=C1C2CCC(N1CCc1ccccc1)n1c(=O)n(-c3ccccc3)c(=O)n12,CI,0
O=C1C2CCC(N1c1ccc(F)cc1)n1c(=O)n(-c3ccccc3)c(=O)n12,CI,0
Cc1c(C)[n+]([O-])c2cc(C=[N+]([O-])CCO)ccc2[n+]1[O-],CI,0
CN1CC2CC3=C(CCC45CC6C(C=C34)C63CCC4(CC67CCC8C9(C)CCCC8%10C(C6CC4CC7%10)N(C)C9)OC53)C(C)(C2)C1,CI,0
COCC12CCC(OC)C34C5CC6(O)C(OC)C=C(C5C6OC(=O)c5ccccc5)C(C(OC)C13)C4N(C)C2,CI,0
Cc1ccc2c(c1)sc1nncn12,CI,0
Cc1cc(C)c2c(c1)sc1nncn12,CI,0
O=C1COC(c2ccccc2O)=NN1CCCN1CCCC1,CI,0
CC(C)OC1CC(C)(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1,CI,0
COc1ccc(C(=NN)C2=NNC3(CCCCC3)NN2)cc1,CI,0
Cc1cc(=O)n2c(nc3ccccc32)s1,CI,0
Cc1ccc2c(c1)nc1sc(C)cc(=O)n12,CI,0
Cc1cc(=O)n2c(nc3cc(Cl)ccc32)s1,CI,0
Clc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)c(Cl)c1,CI,0
Clc1ccc(CN2COc3c(ccc4ccccc34)C2)cc1Cl,CI,0
Clc1ccc(CN2COc3c(ccc4ccccc34)C2)cc1,CI,0
c1ccc(CN2COc3c(ccc4ccccc34)C2)cc1,CI,0
COc1[nH]c(C(O)C2OC(C)(C)OCC2O)nc1C#N,CI,0
Cc1ccc(SSc2nnnn2C)cc1,CI,0
Cc1cc(C)c(S(=O)(=O)Sc2nnnn2-c2ccccc2)c(C)c1,CI,0
CC1CC2Oc3ccc(Cl)cc3C(=O)N2O1,CI,0
CCOC(=O)c1cc(Cl)cc2c(=O)c3c(O)c4[nH]c5c(C(=O)OCC)cc(Cl)cc5c(=O)c4c(O)c3[nH]c12,CI,0
O=C(NC(=O)c1c(F)cccc1F)Nc1ncc(Br)cc1Br,CI,0
C[c-]1nc2ccccc2c(C(=O)NO)[n+]1=O,CI,0
S=C(c1cc(Br)ccc1Br)N1CN2CCN(C2)C1,CI,0
C[S+](C)c1ccccc1NC(C)(C)C.O=C(O)C(F)(F)F,CI,0
N#CC(C(=N)c1ccccc1)=C1SSC(=C(C#N)C(=N)c2ccccc2)S1,CI,0
CCOc1ccc2nc3cc(N=Nc4ccc5c(N)c6cc(OCC)ccc6nc5c4)ccc3c(N)c2c1,CI,0
C=C(C)CN1C(=O)C(C)SC1=NN=C1SCC(=O)N1C,CI,0
NCCCCNC(c1ccccc1)C(O)c1ccccc1,CI,0
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(OC=O)c3ccccc3)C2SC1,CI,0
COc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-],CI,0
Cc1cnc2c(c1)CCCC2C(N)=S,CI,0
COCCCNC1=C(C#N)C(=O)NC(c2cccc([N+](=O)[O-])c2)S1,CI,0
CCOC(=O)C=C1SC(N2CCCCC2)C(=O)N1CC,CI,0
O=S1(=O)C(c2ccc(F)cc2)=C(O)c2cc3ccccc3nc21,CI,0
O=C1OC2CSCC2O1,CI,0
CC(=O)OC1SC(OC(C)=O)C2OC(=O)OC12,CI,0
CCC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)C)C(O)CC(=O)O)C(C)C)C(C)C,CI,0
CC[Sn](Cl)(Cl)CC,CI,0
NCC(SSC(CN)C(=O)O)C(=O)O,CI,0
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=[N+]([O-])C2,CI,0
O=C(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1,CI,0
O=[N+]([O-])c1ccc(C=[N+]([O-])CCO)o1,CI,0
C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23C(OC(C)=O)C=CC(C)(O)CC(C)CC=CC3C1O,CI,0
O=C1OC(=O)C2C1C(c1ccc([N+](=O)[O-])cc1)N1C3C(=O)OC(=O)C3C(c3ccc([N+](=O)[O-])cc3)N21,CI,0
CC1=CCCC2C1(C)CCC(C)C2(C)Cc1cc(O)ccc1O,CI,0
CCOC(=O)C=C(C)NCCSSCCNC(C)=CC(=O)OCC,CI,0
Clc1nc(Cl)nc(N2CCCc3ccccc32)n1,CI,0
COc1cc2c3c(cccc3c1)C(=O)N(CCN1CCCC1)C2=O,CI,0
CC[N+](C)(CC)CCSC1=Nc2ccccc2N=C(c2ccc(Sc3ccccc3)cc2)C1,CI,0
O=P12OP(=O)(O[Pd-2]3(NCCN3)O1)O[Pd-2]1(NCCN1)O2,CI,0
CC(=O)NC(C(=O)O)C(C)(C)SN=O,CI,0
O=C1NC2CSC(CCCCC(=O)N(CCP(c3ccccc3)c3ccccc3)CCP(c3ccccc3)c3ccccc3)C2N1,CI,0
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CI,0
N#Cc1c(Br)n(C2OC(CO)C(O)C2O)c2ncn3ccnc3c12,CI,0
N#CC(=Cc1cc(Cl)cc(Cl)c1O)c1nc2ccccc2[nH]1,CI,0
N#CC(=Cc1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1,CI,0
COc1ccc(CSC2=C(C#N)C(=O)NC3(CCCCC3)S2)cc1,CI,0
CC1C(=O)C(C)C(c2ccccc2)NC1c1ccccc1,CI,0
CN(C)CCNC(=O)c1noc2c1CSc1ccccc1-2,CI,0
CC(=O)Oc1cc(C)c(Cl)c2c(OC(C)=O)cc(C(C)=O)c(O)c12,CI,0
O=C1CSC(=Nc2ccccc2F)N1c1ccccc1F,CI,0
CCOc1cc2c(cc1C(C)c1ccc(OC)cc1)OCO2,CI,0
Fc1ccccc1C=NC12CC3CC(CC(C3)C1)C2,CI,0
C=C1C(=O)OC2C=CCCCC12,CI,0
CC1=[N+]2[N-]C(N3CCCCCC3)=[S+][Cu-3]2(Cl)[n+]2ccccc21,CI,0
NC(CNC(=O)CBr)C(=O)O,CI,0
CCOC(=O)c1cc2sc(NC(=O)c3ccco3)nc2o1,CM,1
O=c1nc(Nc2cccc(Cl)c2)oc2cc(Cl)oc(=O)c12,CI,0
O=C(O)CC(=O)Nc1ccccc1S,CI,0
Nc1ccc(C(=O)Nc2ccccc2N)cc1,CI,0
COC(=O)C=Cc1c(=O)c(C(=O)OC)cn2cnc3[nH]cnc3c12,CI,0
CCSC(SC)=C(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
COC(=O)c1cc(=O)n(Cc2ccco2)c(=Nc2ccccc2)s1,CI,0
CC(C)=CC[PH](CCCCCC[PH](CC=C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
COc1ccc2c(c1)C(O)NC(=O)O2,CI,0
CC(CO)C1OC(=O)C=C2C3(C)CC4OC4C4(C)C(=O)OC(C34)C3OC213,CI,0
O=c1c2ccccc2oc2cc3c(c(O)c12)CCCC3,CI,0
CC1=NC(C)=NP(O)(Oc2ccccc2)=N1,CI,0
O=C1NN=C(c2ccccc2)SC1c1ccccc1,CI,0
CC(C)OC1NC(=O)Oc2ccccc21,CI,0
CCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,CI,0
CCOC(=O)c1ccc(N2N=C3C(=CC(=O)c4ccccc43)SCC2=O)cc1,CI,0
Cn1c2c(c3nc(N)nc(N)c3c1=O)CCc1ccccc1-2,CI,0
COC(=O)C1(C)CCCC2(C)C3=CC(=O)C4(C(C)C)OC4C3(O)CCC12,CI,0
CC(=O)O.Nc1nc(N)c(CCc2ccccc2)c(N)n1,CI,0
O=[N+]([O-])c1ccc(-[n+]2ccc3ccccc3c2)c([N+](=O)[O-])c1,CI,0
Cc1ncc(N)c(C(=O)O)n1,CI,0
O=c1oc2c(-c3c(O)c(=O)oc4ccccc34)cc(O)cc2s1,CI,0
NC(=S)NN=Cc1cc(=O)c2cc(Cl)ccc2o1,CI,0
NC(=S)NN=Cc1c(O)nc2ccc(Cl)cc2c1O,CI,0
Nc1ccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)cc1,CI,0
CCCc1cc2c(O)c(C(=O)OC)cnc2cc1N(CC)CC,CI,0
COc1ccc(C2=CC(=Cc3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1,CI,0
OCCN1C(c2ccccc2)=CN2C=CSC21,CI,0
CC1(C)CC[PH](CC[PH]2(c3ccccc3)CCC(C)(C)c3ccccc32)(c2ccccc2)c2ccccc21,CI,0
Cc1cc(C)c(C#N)c(SSC(Cl)(Cl)Cl)n1,CI,0
CC1=CC(=O)OC2CC(CCC(C)C=CCC1)OC(O)(C1CSC(=O)N1)C2,CI,0
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCOCCO)ccc(NCCOCCO)c21,CI,0
C=CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,CI,0
CCCCN1CC(=O)N2CCCC(c3ccccc3)N2C(=O)C1,CI,0
CCN(CC)CCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(CCN(CC)CC)C(=O)C2C31.Cl,CI,0
CNCCSS(=O)(=O)CCNC,CM,1
O=C(CN1C(=O)c2cccc3c(Br)ccc(c23)C1=O)c1ccc(F)cc1,CI,0
COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N4CCOCC4)C3=O)N1CC1NC12,CI,0
O=C1c2ccccc2C(=O)N1N1CC1c1ccccc1,CI,0
N#CC1=CNc2ccccc2NC1=N,CI,0
CCOC(=O)C1=CNc2ccccc2NC1=N,CI,0
C=CCNc1ncnc2sc(SC)nc12,CI,0
COc1cc2c(cc1OC)C1C(=O)c3cc4c(cc3C1N(C)C2=O)OCO4,CI,0
CC(C)=CCCC1(C)C=Cc2c(ccc3c(C)noc23)O1,CI,0
Cc1nc2ccccc2c(N)c1-c1cc(C)c2c(C)nc3ccccc3c2n1,CI,0
CCOC(=O)CC1(C)SCCN1C(=O)OCC,CI,0
COC(=O)N1C2CCCCC2=NN(c2ccccc2)N1C(=O)OC,CI,0
COC(=O)c1ccc(OCc2nc3ccccc3[nH]2)cc1,CI,0
COc1ccc(C=NNC(=O)c2ccc(OCc3nc4ccccc4[nH]3)cc2)cc1,CI,0
CCS1=C(C(C)=O)C(=O)OC(C)C1,CI,0
CN1C2C=CC(=O)C1(Cl)C1C(=O)N(c3ccccc3)C(=O)C21,CI,0
CC1(C)CC(Br)(C(Br)c2ccccc2)C(=O)c2ccccc21,CI,0
Clc1ccc2c(NCCCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1,CI,0
O=C1NC2C(O)C(O)C(O)C(O)C2c2cc3c(c(O)c21)OCO3,CI,0
O=c1oc(NCCCl)nc2ccccc12,CI,0
O=C(c1ccccc1)C1C(c2ccccc2)S(=O)C(c2ccccc2)CC1(O)c1ccccc1,CI,0
Cn1c2c(c(=O)n(C)c1=O)CN(Cc1ccccc1)CN2,CI,0
COc1ccc2c(c1)OC1c3ccc(O)cc3OCC21,CI,0
COc1ccc(C(C)c2cc3c(cc2OC)OCO3)cc1,CI,0
NCCC(N)CSP(=O)(O)O,CI,0
C=C(CN(C)C)C(=O)c1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1,CI,0
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)OC(C)(C)C,CI,0
O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O,CI,0
CN1CCc2sccc2C(c2ccccc2)O1,CI,0
CCOC(=O)c1ccc2c(O)nnc(CO)c2c1,CI,0
C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1C,CI,0
CC(NNC(=S)N1CCN(c2ccccn2)CC1)c1cccc[n+]1[O-],CI,0
COc1cc(C(C)c2cc3c(cc2OCCO)OCO3)cc(OC)c1OC,CI,0
OCc1ccc2ccc3ccc(CO)nc3c2n1,CI,0
c1ccc(C2=NOCCCOc3ccccc32)cc1,CI,0
COc1cc2c(cc1OC)NCC1COc3c(ccc(OC)c3OC)C1=N2,CI,0
COC(=O)C1=C(C(=O)OC)N2c3ccccc3-n3c(-c4ccccc4)cc(OC)c3C2(C)C(C(=O)OC)=C1C(=O)OC,CI,0
CCOC(=O)Nc1nc2c(s1)c([N+](=O)[O-])cn2C,CI,0
CCOC(=O)Nc1nc2cc(C(=O)OCC)n(C)c2s1,CI,0
CCOC(=O)Nc1nc2ccn(C)c2s1,CI,0
O=C(Nc1nc2ccsc2s1)c1ccccc1,CM,1
Cc1ccc(C23c4ccccc4CCN2C(=O)C3N)cc1,CI,0
O=C1NC(=O)C(C(=O)Nc2ccc(Cl)cc2)c2ccccc21,CI,0
c1ccc(-c2nnc3nn4c(-c5ccccc5)cnnc4c3c2-c2ccccc2)cc1,CI,0
CN1CCN(C(=O)N=NC(=O)N2CCN(C)CC2)CC1,CI,0
CN(C)c1cc[n+](C2C(=O)c3ccccc3N(c3ccccc3)C2=O)cc1,CI,0
O=C(CC1C=CCS1(=O)=O)NCc1ccccc1,CI,0
CC[Sn]1(CC)OC(=O)O[Sn](CC)(CC)O1,CI,0
CNC(=O)OCn1cnc(Cl)c1Cl,CI,0
CS(=O)CC(=O)c1ccccn1,CI,0
O=C(c1ccccc1)C12COc3ccccc3C1ON=C2c1ccccc1,CI,0
COc1ccccc1C=CC(=O)c1ccccc(=O)c1O,CI,0
Cn1c2ccccc2c2[nH]c3ccccc3c(=O)c21,CI,0
NC(=O)C1=CC2C3C=CC2(O)C(=O)OC3O1,CI,0
O=C(Nc1cccc(NC(=O)c2nnn[nH]2)n1)c1nnn[nH]1,CI,0
CNc1nc2c(C)ccc3[nH]c(N(C)C)nc3c-2n1,CI,0
COC(=O)C1=C(N)SSC1=C[N+](=O)[O-],CI,0
CSC1=Nc2sc3c(c2CN1)CCCC3,CI,0
O=[N+]([O-])c1ccc(NN=C2CCCCC(=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS(=O)(=O)C2)c([N+](=O)[O-])c1,CI,0
CC(=O)OCC(OC(C)=O)C(Cl)CCl,CI,0
CC(C)(C)N1COCOC2CCCC21,CI,0
CC(=O)OCC1OC(Nc2nncs2)C(OC(C)=O)C1OC(C)=O,CI,0
CCN(CC)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
CCN(CC)CCN1C(=O)c2cccc3cc(OC)cc(c23)C1=O,CI,0
Cn1nnc2c(C(N)=O)ncn2c1=O,CI,0
CN1N=Nc2ccccc2C1(O)c1ccc(F)cc1,CI,0
Cl[Pt-4]1(Cl)(Cl)(Cl)NC2CCCCC2N1,CI,0
CN1C2C=CC1c1c(C3=NC(C)(C)CO3)cccc12,CI,0
COc1ccc2c(c1)CCC1=C2CC(=O)N2CCCCN12,CI,0
CC(=O)OCCN1CCOC(O)(c2cccc(C(F)(F)F)c2)C1,CI,0
c1cc(-c2ncc3ccncc3n2)ccn1,CI,0
CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Pt-4]2(Cl)(Cl)(Cl)[n+]2ccccc21,CI,0
C=CCC12CC(O)C(O)CC1(OC)OC(c1cc(OC)c(OC)c(OC)c1)C2C,CI,0
C=CCC1(C(C)C(O)c2cc(OC)c(OC)c(OC)c2)CC(O)C=CC12OCCO2,CI,0
c1ccc2c(c1)[nH]c1c2nc2sccn21,CI,0
CCN(CC)C(=Nc1ccc(Cl)c(Cl)c1)SC(NC=O)=C(Cl)Cl,CI,0
CC(=O)O.Nc1nc(O)nc2nc3c(nc12)-c1cccc2cccc-3c12.O=S(=O)(O)O,CI,0
Cc1c(O)c2ccccc2c2c1sc(NCCO)[n+]2C,CI,0
COc1ccc(Nc2nc3c(s2)c(C)c(O)c2ccccc23)cc1,CM,1
O=C1CSC(c2ccc(Cl)cc2)N1N1C(=O)CSC1c1ccc(Cl)cc1,CI,0
Cc1ccc(C=C2NC(=[Se])N(C)C2=O)cc1,CI,0
ClCc1ccccc1NC1=Nc2ccccc2CO1.O=C(Nc1ccccc1CCl)Nc1ccccc1CCl,CI,0
CCOC(=O)c1cnc2c3c(noc13)CCC2,CI,0
COc1nc(N2CCNCC2)nc2c1CCCC2.O=C(O)C=CC(=O)O,CI,0
CC(C)Oc1nc(N2CCNCC2)nc2c1CCC2.O=C(O)C(=O)O,CI,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(N)ccc3nc2-1,CI,0
CC(=O)C(C(=O)CCSCCO)C(SCCO)c1ccc(Cl)c(Cl)c1,CI,0
COc1cc(C(c2cc3c(cc2O)OCO3)N2CCCC2)cc(OC)c1OC,CI,0
Cn1c2ccccc2c2nnc(NN=Cc3ccc([N+](=O)[O-])o3)nc21,CI,0
CC(C)N1C(=O)NC2C1NC(=O)N2C(C)C.CC(C)N1C(=O)NC2NC(=O)N(C(C)C)C21,CI,0
CCCCOc1cccc(C=NNC(=N)NO)c1.Cc1ccc(S(=O)(=O)O)cc1,CI,0
Cc1ccc(N=NC2=C3Sc4ccccc4N=C2N(c2ccc(Br)cc2)C(=S)N3c2ccc(Cl)cc2)cc1,CI,0
S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3ccccc3)C(=Nc3ccccc3S2)N1c1ccccn1,CI,0
S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3ccccc3Cl)C(=Nc3ccccc3S2)N1c1ccccn1,CI,0
S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3cc(Cl)ccc3Cl)C(=Nc3ccccc3S2)N1c1ccccn1,CI,0
COc1ccccc1N=NC1=C2NCCN=C1N(c1ccccn1)C(=S)N2c1ccc(Cl)cc1,CI,0
c1ccc2c(c1)CCc1c(-c3noc4c3CCc3ccccc3-4)noc1-2,CI,0
Brc1ccc2c(ccc3nc4nnnn4nc32)c1,CI,0
Cc1cc2n(n1)C(C)(C)C(=O)Nc1ccc(Cl)cc1-2,CI,0
O=[N+]([O-])c1ccc(C=CC=CC=CC=Cc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1,CI,0
CCc1n[nH]c(CC)c1CCCCCCOc1ccc(OC)cc1Cl,CI,0
CN1C(=O)C(=C2SC(=O)N(CN3CCOCC3)C2=O)c2cc(Br)ccc21,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC=O)CC2,CI,0
CN1c2c(C(=O)NCCCN3CCOCC3)nn(-c3cccc(C(F)(F)F)c3)c2-c2ccccc2S1(=O)=O,CI,0
CN1c2ccccc2C2=C(C(=O)CCS2)S1(=O)=O,CI,0
CCN1C2=NCCN2S(=O)(=O)c2ccccc21,CI,0
Cc1cc(C)n(C2=NS(=O)(=O)c3ccccc3N2C)n1,CI,0
CC1=NN(C2=NS(=O)(=O)c3ccccc3N2C)C(=O)C1,CI,0
CN1c2ccccc2S(=O)(=O)n2c(COc3ccccc3)nnc21,CI,0
CN1c2ccccc2S(=O)(=O)n2c(COc3ccc(Cl)cc3)nnc21,CI,0
COc1ccc(C(c2c(O)c3ccccc3oc2=O)N2CCOCC2)cc1,CI,0
COc1ccc(C(c2c(O)c3ccccc3oc2=O)N2CCCC2)c(OC)c1,CI,0
COc1ccc(C(c2c(O)c3ccccc3oc2=O)N2CCOCC2)c(OC)c1,CI,0
O=C(CSc1nnc(-c2ccc(Cl)cc2)s1)Nc1nccs1,CI,0
CSc1nc(C)c(C(=O)CCN2CCOCC2)s1,CI,0
O=NNc1ccc(S(=O)(=O)c2ccc(NN=O)cc2)cc1,CI,0
CCCCCCCCCCCCCCOCCS(=O)(=O)O,CI,0
C(=NNC1=NCCN1)c1ccc(-c2cn3cc(C=NNC4=NCCN4)ccc3n2)cc1,CI,0
C[n+]1c(COc2ccc(C=NNC(=O)CCC(=O)NN=Cc3ccc(OCc4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1,CM,1
Cc1ccccc1N=C1SCC(=O)N1c1ccccc1C,CM,1
CN(CCO)c1cnn(CCO)c(=O)c1Cl,CI,0
COc1cc2c(cc1OC)C(C(=O)O)C(c1ccc(OC(C)C)c(OC)c1)N(C)C2=O,CI,0
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=CC1CC2C=CC1C2,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1CCNCCN1C(=O)c2cccc3cccc(c23)C1=O,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1CCCN(CCO)CCO,CI,0
S=c1c2ccccc2c(=S)n(-c2ccccc2)n1-c1ccccc1,CI,0
CN(C)CC(C)(C)C(=O)C=Cc1ccccc1,CI,0
CC1COS(=O)(=O)CS(=O)(=O)O1,CI,0
CCC1COS(=O)(=O)CS(=O)(=O)O1,CI,0
ClP1Nc2cncnc2N1,CI,0
CC1(Cn2ccc(=O)[nH]c2=O)CC(C2(C)OCCO2)C(=O)O1,CI,0
O=c1ssc2ncccc12,CI,0
Cc1ncc(CO)c(CO)c1OCC(O)CN1CCN(c2ccc(F)cc2)CC1,CI,0
C[n+]1c(-c2ccc(C=NNc3ccnc(NN=Cc4ccc(-c5cn6ccsc6[n+]5C)cc4)n3)cc2)cn2ccsc21.Cc1ccc(S(=O)(=O)O)cc1,CM,1
CCOC(=O)CN1C(=O)SC(=C2C(=O)N(C)c3ccccc32)C1=O,CI,0
CN1C(=O)C(=c2sc3nc4ccccc4n3c2=O)c2ccccc21,CI,0
CCC(C)C1(O)OC2CC3(C)OC(=CC3=O)C(C)=CC3OC(=O)C1(C)C32,CI,0
CC(=O)SSC12CC3CC(CC(C3)C1)C2,CI,0
COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCc4ccccn4)C3=O)N1CC1NC12,CI,0
COc1cc2c(cc1-c1coc3cc(OCC=C(C)C)ccc3c1=O)OCO2,CI,0
CN1C(=O)CC2(C)C1=CCc1scnc12,CI,0
CCC1(O)C(=O)Nc2ccc(OC)cc2C1=O,CI,0
Nc1nc(Cl)c(Cl)nc1C(=O)O,CI,0
CC(=CC(=O)c1ccc(Sc2ccccc2)cc1)c1ccc(Sc2ccccc2)cc1,CI,0
CCN1CCOC(c2ccccc2)C1c1ccccc1,CI,0
COc1c2occc2c(S(=O)(=O)O)c2ccc(=O)oc12,CI,0
COc1c2c(c(Cl)c3ccc(=O)oc13)CCO2,CI,0
COc1c2c(cc3ccc(=O)oc13)CCO2,CI,0
COc1c2c(c(N)c3ccc(=O)oc13)CCO2,CI,0
O=C(O)C1CC(O)CN1S(=O)(=O)Cc1ccccc1,CI,0
CCCC(N)S(=O)(=O)O,CI,0
Cc1cc(C)c(SSc2c(C)cc(C)cc2C)c(C)c1,CI,0
CC(C)OC=C1CCc2ccccc2C1=O,CI,0
O=C(O)CC(SSCc1ccccc1)C(=O)O,CI,0
Cc1[se]c(=N)[nH]c1-c1ccccc1,CI,0
O=C1NC(=O)c2ncccc21,CI,0
OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5,CI,0
C=C1C2CCC3(CCC4C5(C)CCCC4(CN(CC)C5)C3C2)C1O,CI,0
O=C1OC(c2ccc3c(c2)OCO3)Sc2ccccc21,CI,0
CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)O,CM,1
COc1cc(N(C)C)ccc1C=Cc1ccnc2ccccc12,CI,0
CCCCn1cnc2c(SSc3ncnc4c3ncn4CCCC)ncnc21,CI,0
O=C1NCC(c2ccccc2)(c2ccccc2)O1,CI,0
O=c1oc2ccccc2c(O)c1[N+](=O)[O-],CI,0
CCOC(=O)C(N)CSSCC(N)C(=O)OCC,CI,0
OCCN1c2ccccc2Sc2ccccc21,CI,0
CCC(C)C1NC(=O)C(C(C)=O)=C1O,CI,0
C=C1C(=O)C23CC1CCC2C12COC(O)C1C(C)(C)C(O)CC2OC3=O,CI,0
COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C=COC1O2,CI,0
CC(C)C(O)(C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(COC(=O)C(O)(C(C)C)C(C)O)C(=O)C2C31)C(C)O,CI,0
OCC(O)C(Cl)CCl,CI,0
CCn1c(=N)sc2nc3ccccc3n2c1=O,CI,0
CC(C)c1ccc2nc3ccc(C(=O)NCCN(C)C)cn3c(=O)c2c1,CI,0
CC1C(C)N1CC(O)Cn1ccnc1[N+](=O)[O-],CI,0
O=NNc1ccc(Sc2ccc3ccccc3c2)cn1.[NaH],CI,0
CC(C)C1=CC2C3C(=O)NC(=O)C3C1C1C3C(=O)NC(=O)C3C21,CI,0
CSCC(NP1(=O)SC(NN=C(C)C)=NC1(C)C)C(=O)O,CI,0
CCN(CC)C(=O)c1cccc2c1OCO2,CI,0
O=c1ccc2cc3ccoc3c(OCCCCCCCCCCCCOc3c4occc4cc4ccc(=O)oc34)c2o1,CI,0
COc1ccc2c(c1)C=CC1OC(C(C)=O)(C(C)=O)C(C=O)=CN21,CI,0
Nc1ccc(SSc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc1,CI,0
O=Cc1c(-c2ccccc2)nc2sc(-c3ccc4c(c3)OCO4)nn12,CI,0
COc1ccc(Nc2ccnc(O)c2NC(C)=O)cc1,CI,0
CC(C)C12OC1CC13OC1C(O)CCC32O,CI,0
O=C1c2ccccc2-c2cc3ccccc3c(=O)n21,CI,0
C=C(CN(C)C)C(=O)c1ccc(OC)cc1.Cl,CI,0
Cc1ccc(S(=O)(=O)NC(=O)NC2=NC(C)(C)N(c3ccc(Cl)c(Cl)c3)C(=N)N2)cc1,CI,0
Cc1cc2c(cc1C)NS(=O)(=O)N2,CI,0
CC(CSC(=O)c1ccccc1)C(=O)N1c2ccccc2CC1C(=O)O,CI,0
CC(CS)C(=O)N1c2ccccc2CC1C(=O)O,CI,0
COC(=O)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
O=C(c1ccccc1)N1OCCCc2ccccc21,CI,0
Cl.c1cnc2c(c1)-n1cccc1C1(CCCCC1)NN2,CI,0
N#Cc1nn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c2ncnc(O)c12,CI,0
O=NNc1nc(-c2ccccn2)nc2ccccc12.[NaH],CI,0
Cl.O=C1c2ccccc2C(=O)N1CCc1ncc(-c2ccccc2)[nH]1,CI,0
COc1nc(NC2OC(CO)C(O)C(O)C2O)cc(=O)n1C,CI,0
CSc1nc(O)cc(NC2OCC(O)C(O)C2O)n1,CI,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4,CI,0
Cc1sc2c(c1C)c(=O)[nH]c1c(C#N)c(-c3ccc(Cl)cc3)cn12,CI,0
O=P1(c2ccccc2)C=C(c2ccccc2)NC(c2ccccc2)=C1,CI,0
O=C1Nc2cc3c(cc2C(=O)N2CC(=NO)CC12)OCO3,CI,0
Cc1cc(=O)oc2c1c(C)nn2-c1cccc(Cl)c1,CI,0
COC(=O)C1=CCCC2C1(C)CCC(C)C21CC(c2ccoc2)OC1=O,CI,0
CN(C)C1C(CO)OC(n2cnc3c(N)ncnc32)C1O,CI,0
CN1C2OC3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2CC13)OCO4,CI,0
CCCCCCSc1nc(COC(=O)NC)c(COC(=O)NC)n1C.Cl,CI,0
Cc1cccc(N2C(c3ccccc3)c3ccc(C)cc3NS2=O)c1,CI,0
O=C([O-])CC[C-]1C2=C3C4=C1[Fe+2]3421567C2=C1[C-]5C6=C27,CI,0
N=c1[nH]c(=O)n(C2CCC(CO)O2)cc1F,CA,1
CC(O)C1OC(O)C2OC(C)(C)OC12,CI,0
O=C(O)c1ccc(CI)cc1,CI,0
CC1SC(=N)NN=C1c1c(O)c2ccccc2oc1=O,CI,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl,CI,0
Cc1ccc2nc(N(C)C)nc-2c2nc(Cl)[nH]c12.Cl,CI,0
COC(=O)Nc1cn2c(n1)SCC2,CI,0
O=c1cc(CCl)n2cnc3c(ncn3C3OC(CO)C(O)C3O)c2n1,CI,0
O=C1N=C2SCCCN2C1(c1ccccc1)c1ccccc1,CI,0
CC(C=CC=CC=CC=CC=CC(=O)C1=C(O)C(CCC(=O)O)N(C)C1=O)=CC(C)C(OC1CC(O)C(O)C(C)O1)C(C)C.[NaH],CI,0
CCCCCC12OCC(C)(C)N1O2,CI,0
CCC12OCC(C)(C)N1OC(=O)N2c1ccccc1,CI,0
COC(=O)C1=C(c2ccccc2)ON2C(C)(C)COC12C,CI,0
O=C1OCC23CCC4C1C42CC1(CC3)OCCO1,CI,0
COc1cnc2cc(C(=O)O)c3c([N+](=O)[O-])cccc3c2c1,CI,0
CC(C)(CCc1nc2ccccc2[nH]1)C(=O)O,CI,0
O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2)c2nonc12,CI,0
Oc1cc(CC2(O)CCCCC2)c2ccccc2n1,CI,0
Nc1nccc(CC(O)(c2ccccc2)c2ccccc2)n1,CI,0
Cc1cccc(Nc2c3c(nc4ccccc24)CCCCC3)c1,CI,0
Nc1cc(F)ccc1CC(=O)O.[NaH],CI,0
CC1(C)CC2=NOS3=C2C(=NO3)C1c1ccccn1,CI,0
O=c1ccc2ccc3occc(=O)c3c2o1,CI,0
O=C1Oc2ccccc2CC1C(=O)c1ccc(Cl)cc1,CI,0
[O-][N+]1=Cc2ccc(O)cc2[OH+][Cu-3]12[OH+]c1cc(O)ccc1C=[N+]2[O-],CI,0
[N-]=[N+]=NC1C2CC3CC(C2)CC1C3,CI,0
O=C(O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O,CI,0
CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C.COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C,CI,0
COc1cncn2nc(C)nc12,CI,0
NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3ncccc23)cc1,CI,0
NC1CSc2ccccc2NC1=O,CI,0
N#CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
CC1=C(C(=O)Nc2ccc(Cl)c(C(=O)OC(C)C)c2)SCCO1,CA,1
C[N+](C)(C)CCOP(=O)(O)OP(=O)([O-])OCC1CCC(n2ccc(=N)[nH]c2=O)O1,CA,1
CCCCCC1CC=CC(NC(=O)OCc2ccccc2)C1C=CC(=O)CCCCCOC(=O)c1ccc(Br)cc1,CI,0
COC1CCC(=O)N1CCC=C(Br)[Si](C)(C)C,CI,0
C=CCCCCOCOCCOC,CI,0
COC(=O)C1=CC(NC(=O)OCc2ccccc2)C(C(=O)c2ccccc2)CC1Sc1ccccc1,CI,0
N#CC(=CSc1ccccc1)C(=O)O,CI,0
CC=C(CCC1NCCc2c1[nH]c1ccccc21)[Si](C)(C)C,CI,0
CC(C)(C)OC(=O)NC1CCCC1=O,CI,0
N[Ru-4](N)(N)(N)(N)[I-].[I-],CI,0
C=CCOc1ccc(N)c([N+](=O)[O-])c1,CI,0
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)c2ccc(N=[N+]=[N-])cc2)C1c1ccccc1C(F)(F)F,CI,0
COc1ccc(C(Cl)=C(C=O)c2ccc(OC)c(OC)c2)cc1OC,CA,1
CCC1(OC(=O)CN(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,CI,0
CN(C)CCNCc1ccc(-c2cccc(-c3ccc(CNCCN(C)C)cc3)n2)cc1,CM,1
Cc1cnc(SCCN2CCN(C)CC2)nc1-c1cc2ccccc2s1,CI,0
CN1CCN(CCSc2nccc(-c3cc4ccccc4s3)n2)CC1,CI,0
CN(C)CCSc1nc(-c2cccs2)c2ccccc2n1,CI,0
CN1CCN(CCSc2nnc(-c3ccc4ccccc4c3)c3ccccc23)CC1,CI,0
COc1ccc(C2c3cc4c(cc3OC(O)(CO)C2C(=O)O)OCO4)c(OC)c1.COc1ccc(C2c3cc4c(cc3OC3(O)COC(=O)C23)OCO4)c(OC)c1,CI,0
COc1cccc(C2C(C(=O)O)=C(CO)Oc3cc4c(cc32)OCO4)c1,CI,0
Cc1nc2c(N)c3nc(C)n(N)c(=O)c3cc2c(=O)n1N,CI,0
Nc1nc(O)c2c(n1)NCC(COP(=O)(O)OP(=O)(O)O)=N2,CI,0
[Br-].c1ccc(C[n+]2ccc3c(c2)CCCC3)cc1,CI,0
NS(=O)(=O)c1ccc(Nc2c3ccc(Cl)cc3nc3ncccc23)cc1,CI,0
CC12CCC3C(CCC4CC(O)CCC43C)C1CCC(=O)N2,CI,0
N#CC(=C1OC(=N)C(c2ccc(Cl)cc2Cl)C1=O)c1ccc(Cl)cc1Cl,CI,0
Cc1c(Cl)ccc2[s+]snc12.[Cl-],CI,0
O=C1CC(CC(O)C2CCCCC2O)CC(=O)N1Cc1ccccc1,CI,0
CN1C(=O)CC(CC(=O)C2CCCCC2=O)CC1=O,CI,0
CC1CCCC(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1=O,CI,0
CC1CCC(=O)C(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1,CI,0
CC1CC(=O)C(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C(C)C1,CI,0
N=C1N=C(c2cc(Cl)ccc2O)CC(c2ccccc2)N1,CI,0
COc1ccc2c(c1)[n+](=O)[c-](S(=O)(=O)c1ccc(C)cc1)[c-](N)[n+]2=O,CI,0
N=C(N)NS(=O)(=O)c1ccc(N=c2c3ccccc3n(Cc3ccccc3)c3ccccc23)cc1,CI,0
Cl.NC1c2ccsc2C(=O)C1O,CI,0
CC(CC(=O)NC(CC(C)C(Cl)(Cl)Cl)c1nccs1)C(Cl)(Cl)Cl,CM,1
Cc1[nH]c2ccccc2c1C(=O)CC1(O)C(=O)Nc2ccccc21,CI,0
O=C(CC1(O)C(=O)Nc2ccccc21)c1ccncc1,CI,0
O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(Cl)c(Cl)c1,CI,0
Cc1ccc(-c2c(N)nc(NC#N)nc2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1,CI,0
CCCC(=O)C(CC)C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=NNC(=O)C[N+](C)(C)C.[Cl-],CI,0
CCCCN(CCCC)C(=O)C(=O)CC(=O)c1ccc(Br)cc1,CI,0
CCCCOC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2,CI,0
CCCCCCCCCCCc1noc2c1C(=O)C(O)CC2,CI,0
CSC(=S)N(C)c1nc(N(C)C)s[s+]1.O=S(=O)([O-])F,CI,0
CN(C)C(=N)NC(=S)N(C)C,CI,0
CN(C)C(=S)N=c1ssc(=Nc2ccccc2)n1C,CI,0
O=[N+]([O-])O.c1c(N2CCOCC2)s[s+]c1N1CCOCC1,CI,0
Br.CN(C)c1nc(=Nc2ccc3c(c2)OCO3)ss1,CI,0
CN(C)C(=S)N=c1ssc(=S)n1C1CCCCC1,CI,0
CN(C)C(=S)N=c1ssc(=S)n1Cc1ccco1,CI,0
COc1ccc(OC)c(C(C)=NNC(N)=S)c1,CI,0
O=C(CCC(=O)Nc1cccc(Cl)c1)CC(=O)c1ccc(Cl)cc1,CI,0
COc1ccc(C(=O)C(C(=O)C(=O)NCCCNC(=O)C(=O)C(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,CI,0
CC(=O)NNC(=N)c1nc2c(n3nc(C)nc13)CCCC2,CI,0
CN1C(=O)C(=NN(c2ccccc2)c2ccccc2)c2ccccc21,CI,0
O=C(CC1C(=O)Nc2ccccc2S1=O)Nc1ccc(Cl)cc1,CI,0
Cc1cccc(C(C)(C)C)c1NC(=O)CC1C(=O)Nc2ccccc2S1=O,CI,0
CCCCCCCCCCCCCCCCCc1n[nH]c(=N)o1,CI,0
O=C1NC(=O)C(=Nc2cccc3c(O)nnc(O)c23)C(c2nc3ccccc3s2)C1=O,CI,0
O=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=Nc2cccc3c(O)nnc(O)c23)C1c1nc2ccccc2o1,CI,0
COc1ccc2nc(NC(=O)C(=O)CC(=O)c3ccc(Cl)cc3)sc2c1,CI,0
NC(CCSC(F)F)C(=O)O,CI,0
CNC(=O)C(C)C1C(=O)C(=C(O)C=CC(C)C)C(=O)N1C1CCC(O)C(C)O1,CI,0
Cc1cc(Cc2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O,CM,1
CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)ccc(S(=O)(=O)O)c2Cl)C=C(C(=O)O)C1=O.[NaH],CM,1
Cn1c(=N)n[n+]([O-])c2ccccc21,CI,0
CCN(CC(COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])OC(C)=O)C(C)=O,CI,0
CC(=O)Nc1ccc2nc(N)n[n+]([O-])c2c1,CI,0
Nc1ccc2nc(N)n[n+]([O-])c2c1,CI,0
CCNCC(O)c1ccc(N)c([N+](=O)[O-])c1.Cl,CI,0
CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC.[NaH],CI,0
O=C(NNC(=S)NC1CC(c2ccccc2)Oc2ccccc21)c1ccccc1,CI,0
O=[N+]([O-])C1(C[Se]c2cccc(C(F)(F)F)c2)CCCCC1,CI,0
COC1OC2COC(c3ccccc3)OC2C2OC12,CI,0
COC1CC(O)C2OC(c3ccccc3)OCC2O1,CI,0
CCOC12OC3=C(CC1CC1=C(CCC1=O)O2)C(=O)CC3,CI,0
COC(F)(F)C12CC3CC(CC(C3)C1)C2,CI,0
CNC1=Nc2ccc(Cl)cc2C2(c3ccccc3)N(C1)OC(=O)N2C.Cl,CI,0
CN1C(=S)C2=C(c3ccccc3)N(C)C(=S)C2=C1c1ccccc1,CM,1
Cc1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2s1,CI,0
CC(C)c1cccc(C(C)C)c1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O,CI,0
COc1ccc2nc(NC(=O)C(=O)C(C#N)c3ccc([N+](=O)[O-])cc3)sc2c1,CI,0
CC(C)c1cccc2sc(NC(=O)C(=O)CC(=O)c3ccc(F)cc3)nc12,CI,0
COc1ccc2nc(NC(=O)C(=O)C(C#N)c3ccc(Cl)c(Cl)c3)sc2c1,CI,0
Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=O)C2=O)c1,CI,0
O=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2s1,CI,0
CCOc1ccc(NC(=O)C(=Cc2ccc(C)cc2)C(C)=O)cc1,CI,0
CC(=O)C1C(=O)C(=O)N(c2ccccc2C(C)C)C1=O,CI,0
O=C(NC1CCCCCC1)C1C(=O)N(C2CCCCCC2)C(=O)C1=NO,CI,0
CC1=NC(C(=O)O)Cc2c1[nH]c1ccccc21,CI,0
O=S(=O)(c1ccccc1)C1(C2(S(=O)(=O)c3ccccc3)CCN=N2)CCN=N1,CI,0
Cc1ccc(S(=O)(=O)OC2CSSCC2OS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
O=S(=O)(O)SCC=CCSS(=O)(=O)O.[NaH],CI,0
CCOCc1cc(=O)c2c(O)cc3c(c2o1)CCC(C)(C)O3,CI,0
CC1(C)CCc2ccc(OCCC(=O)O)cc2O1,CI,0
O=C1C=C(C2CCCO2)C(=O)c2c(O)ccc(O)c21,CI,0
Cl.Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
Cc1ccc(Oc2ccc(C)cc2[N+](=O)[O-])cc1,CI,0
COc1ccc(Oc2ccccc2N)cc1.Cl,CI,0
Cc1ccc(Oc2ccccc2N)cc1.Cl,CI,0
COP1(=O)CC2C(Cl)(Cl)C2(C)C1,CI,0
C(=NCCN=Cc1cccc2ccccc12)c1cccc2ccccc12,CI,0
CC1(C)OC2CC(O)(CO)CC(O)C2O1,CI,0
COC1CC2C3C(=NNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])CCC2(C)C3C1,CI,0
CC12CC(Br)(Br)C(=O)C3C1CCCC32,CI,0
CC1=C2CCCC2=CC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1,CI,0
O=C(O)CC1CCCCC12CCOC2=O,CI,0
CC1(C)OC(=O)C(C)(C(O)c2ccccc2)O1,CI,0
CC1C=CC(O)C2(CO)CC3(CCC12)OCCO3,CI,0
CC(C)(c1cn(Cc2ccccc2)c2ccccc12)c1cn(Cc2ccccc2)c2ccccc12,CI,0
O=C(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1,CI,0
COc1cc(C=C(NC(=O)c2ccccc2)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(OC)c1OC,CI,0
Nc1ccc(C(=O)NC(=Cc2ccc3c(c2)OCO3)c2nc3ccccc3s2)cc1,CI,0
CC(CC(=O)N1C(=O)C(C)(C)C(O)C1CC(C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,CI,0
Cc1cc2c(cc1CO)N1Cc3cc(C)c(CO)cc3N(C2)C1,CI,0
Nc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nc(S)n1,CI,0
O=C(NC1C2CC3CC(C2)CC1C3)c1cc(C=Cc2ccccc2)nc(S)n1,CI,0
COc1ccc(C(=O)C(C(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(OC)cc2)cc1,CI,0
O=[N+]([O-])c1cc(C(F)(F)F)cc2c1SC1=Nc3ccccc3CN12,CI,0
CC1(C)OC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)O1,CI,0
O=C1CC2CCCC23CC2(CCN13)OCCO2,CI,0
C=C1CC2CC(C)CC(O)C2(CCCNC(=O)CCOCc2ccccc2)C1O,CI,0
C=CC(C)C1(CCCOCc2ccccc2)C(=S)N2CCC3(CC24CCCC14)OCCO3,CI,0
N#CC1(C#N)C(c2ccccc2)C=CC12OCCCO2,CI,0
Cl.Cn1cc(NC(=O)C2CCC(=N)N2)cc1C(=O)NCCC(=N)N,CI,0
O=C(OCC1CO1)c1cccs1,CI,0
COc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O,CI,0
c1ccc(-c2nc3sccn3n2)cc1,CI,0
CSc1nc(NC2OCC(O)C(O)C2O)c(N)c(=O)n1C,CI,0
O=c1c(O)c(O)c1=O,CI,0
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,CI,0
CC(CNC(=O)CCC(N)C(=O)O)C(=O)O,CI,0
N=C(c1ccccc1)N(O)C1CCCCC1,CI,0
CCN1CC2(CO)CCC(O)C34C5CC6C(OC)CC(OC(C)=O)(C5C6OC(C)=O)C(C(OC)C23)C14,CI,0
COc1ccc(O)c(C(=O)CCC(=O)O)c1,CI,0
BrC(Br)([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-],CI,0
CCOC(=O)C(C#N)=Cc1[nH]c(C(=O)OCc2ccccc2)c(C)c1C,CI,0
O=C1C=C(O)C(=Cc2c(O)cc(O)cc2O)C(O)=C1,CI,0
O=C1CCCc2ccc([N+](=O)[O-])c(O)c21,CI,0
O=C(NC(=O)c1cn(CCNCCO)c(=O)[nH]c1=O)OCc1ccccc1,CI,0
CC1CCC2(CO)C(CO)=CCCC2C1(C)CCC(=CCO)CO,CI,0
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(S(=O)(=O)O)cc2S(=O)(=O)[O-])cc1.[NaH],CI,0
CC1=CC(=C(c2ccccc2S(=O)(=O)O)c2cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c2C)C(C)=C(CN(CC(=O)O)CC(=O)O)C1=O.[NaH],CI,0
Cc1nc(=O)n2c(C)n[nH]c2c1C(=O)O,CI,0
OC1c2ccccc2C2C(O)c3ccccc3C12,CI,0
CC(C)O.OCC1NC(CO)C(O)C1O,CI,0
N#CCCN(CCC#N)C(=O)c1cccc(C(=O)N(CCC#N)CCC#N)c1,CI,0
c1cc(N(CCn2cccn2)CCn2cccn2)cc(N(CCn2cccn2)CCn2cccn2)c1,CI,0
OCCN(CCO)c1cccc(N(CCO)CCO)n1,CI,0
c1ccc(CCN(CCc2ccccn2)CCc2ccccn2)cc1,CI,0
O=C1CCC(=O)N1Sc1ccccc1,CI,0
c1ccc(SC2CCCO2)cc1,CI,0
c1ccc(SC2CCCCO2)cc1,CI,0
CC1(C)CCOC(Sc2ccccc2)C1,CI,0
CC1(C(=O)Nc2ccccc2)CC2(C)CC(C)(C1)C(O)NC2=O,CI,0
CC=C(C)c1cc(OC)c(C)c2c1C(=O)Oc1c(C)c(O)c(Cl)c(C(C)=CC)c1O2,CI,0
OC1CC1Sc1ccccc1,CI,0
c1ccc(P(=C2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccccc2)cc1,CI,0
COC(=O)c1c(C(=O)OC)c(C(=O)OC)[c-](C(=O)OC)c1C(=O)OC.[K+],CI,0
CC(C)(c1ccc(C=O)o1)c1ccc(C(C)(C)c2ccc(C=O)o2)o1,CI,0
CCOC(=O)C1(C)c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc1o2,CI,0
CC1(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)C=CC1=O,CI,0
O=C(O)CNC(=O)CCCC(=O)NCC(=O)O,CI,0
CC1=C2C(N)=C(C#N)C(C)=C2C(N)=C1C#N,CI,0
O=Cc1cc2sc(C=O)cc2s1,CI,0
CCOC(=O)NC(=O)c1cn(CCCCCCCCCCC(=O)N2CCN(CCn3cc(C(=O)NC(=O)OCC)c(=O)[nH]c3=O)CC2)c(=O)[nH]c1=O,CI,0
CC(Cc1ccccc1)=NNC(N)=S,CI,0
N#CC(C#N)=C1NC(=O)C(c2ccccc2)C(=O)N1,CI,0
CC(=O)NC=Cc1cc(O)ccc1O,CI,0
Cc1cc(C)c2c(c1C)CN1CN2Cc2c(C)c(C)cc(C)c21,CI,0
Cc1cc(C)c2c(c1)CN1CN2Cc2cc(C)cc(C)c21,CI,0
Nc1ccc(S2(=O)=[O+][Ag-][n+]3cccnc3[NH2+]2)cc1,CI,0
CC(=O)OC1C2CCC1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,CI,0
OC1C2CCC1C1C3C=CC(C3)C21,CI,0
O=C(O)C1CC2C=CCC(C2)C1,CI,0
O=C(OCCO)C1CC2CC1C1(C2)OCCO1,CI,0
CC1=CC2CC(C)=C(CCC3(C)CCC(C(C)C(=O)O)OO3)C(C)(C)C2CC1,CI,0
CC1(C)OC2OC3CCC(=O)CC3(O)C2O1,CI,0
CC(=O)N1CCc2cc(S(C)(=O)=O)c3c(c21)CCC3,CI,0
CC1(C)CCc2ccc(OCCC#N)cc2O1,CI,0
CC1CCC23COC(=O)C2=CCCC3C1(C)CCC(=CCO)CO,CI,0
O=C(O)CCCCCCCC1SC1CCCCCCO,CI,0
COC(=O)C=CC1C(C(=O)OC)C2(C(=O)OC)CCC1(C(=O)OC)N2,CI,0
OCC1CC#CC=CC#CCC1CO,CI,0
C[PH](C)(C)[Ir+]12([PH](C)(C)C)([PH](C)(C)C)C3=C1CCC(Cc1ccccc1)[C-]2CC3,CI,0
C[PH](C)(C)[Ir+3]123([PH](C)(C)C)([PH](C)(C)C)C4=C1CCC2=C3CC4.[Cl-],CI,0
COc1ccc2cccc(C(=O)c3ccc(C)c4c3CCC4)c2c1,CI,0
CC(=O)C1(c2ccccc2)CCCN(C)CC1,CI,0
O=CC1=CN2C(c3ccoc3)CCC(CO)C2CC1,CI,0
NC(=O)c1ncn(Cc2ccccc2)c1CNC(N)=S,CI,0
O=C1CNC(=O)c2nc[nH]c2N1,CI,0
C=CCc1cccc(C=NNC(=N)NO)c1O.Cc1ccc(S(=O)(=O)O)cc1,CI,0
CC1Cc2c(N)nc(NN)nc2NC1=O,CI,0
COC(=O)C(C#N)=C1NN=NN1c1ccc(OC)cc1,CI,0
COC(=O)C(C#N)=C1NN=NN1CCCc1ccccc1,CI,0
OC12OC3(c4ccc(C(F)(F)F)cc4)C4C5CC(C6C5C3C61)C42,CI,0
O=C1OC(CC(=O)c2ccc(Cl)cc2)C(Cl)=C1Cl,CI,0
NC(=O)n1ncc(Cl)c(Cl)c1=O,CI,0
O=C1OC(CC(=O)c2ccc(Cl)cc2Cl)C(Cl)=C1Cl,CI,0
O=C(O)C(Cl)=C(Cl)C=NNC(=O)c1cc2ccccc2cc1O,CI,0
COC(=O)CSc1n[nH]c(-c2ccccc2)n1,CI,0
CCOC(=O)NC(=O)c1cn(CCN2CCN(C(=O)CCCCCCCCCCNc3ncnc4[nH]cnc34)CC2)c(=O)[nH]c1=O,CI,0
CCOC(=O)NC(=O)c1cn(CCN2CCN(c3ncnc4nc[nH]c34)CC2)c(=O)[nH]c1=O,CI,0
CCOC(=O)C(=O)Nc1cc(Cl)ccc1Cl,CI,0
O=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2o1,CI,0
Cc1ccc(NC(=O)CCC(=O)C2CC(=O)CCC2=NNC(=O)c2cc3ccccc3cc2O)cc1C,CI,0
Cc1cccc(C)c1NC(=O)C(=NNC(N)=S)C(C)C(=O)c1ccc(Cl)cc1,CI,0
Cc1ccc(NC(=O)CCc2nc(N)nc(N)c2-c2ccccc2)cc1C,CI,0
O=C(CCC(=O)C1CCCC1=NO)Nc1ccc(Cl)cc1,CI,0
CC(C)CN1CC(C)C(=O)NC1=O,CI,0
CCSc1c2ccccc2nc2c(OC)ccc(OC)c12,CI,0
O=C1C2C(c3ccccc3)=NN(C(=O)c3ccccc3)C2C(=O)N1c1ccccc1,CI,0
COc1ccc2nc(-c3cccs3)cc(C(O)CN3CCSCC3)c2c1,CI,0
COC12CCC(=O)N1C=Cc1c2[nH]c2ccccc12,CI,0
COc1cc(C2c3cc4c(cc3C(NCC(O)CO)C3COC(=O)C23)OCO4)cc(OC)c1OC,CI,0
COc1ccccc1C12OC(=O)C1(C)Oc1ccccc1C2=O,CI,0
CC1=C2C(=CC(C)(CO)C2O)C(=O)C(C)(O)C12CC2,CI,0
CCC1C(C)c2c([nH]c3ccccc23)C2C(=O)N(c3ccccc3)C(=O)C21,CI,0
CC1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccccc4)C(=O)C3C2C1,CI,0
CC(=O)N1C(=O)C(=O)c2cc(Cl)ccc21,CI,0
CC12Cc3conc3C(O)=C1CCC1C2CCC2(C)C1CCC2(C)O,CI,0
CC(=O)C1CCC2C3CCC4c5nn(-c6ccccc6)nc5CCC4(C)C3CCC12C,CI,0
COc1ccc2[nH]c3c(cnn4cnnc34)c2c1,CI,0
CCOC(=O)C(=C=C=C(c1ccccc1)c1ccccc1)C(=O)OCC,CI,0
CCCCN1C(C)C=CC(C)[S+]1[O-],CI,0
O=C1CCCC2(CCCC(=O)N2)C1,CI,0
CC1=CC2c3cc(c(O)cc3O)C(=O)C3C(C=C(C)CC3c3ccc(O)cc3O)c3cc(c(O)cc3O)C(=O)C2C(c2ccc(O)cc2O)C1,CI,0
O=[N+]([O-])c1cc2nc(-c3ccccc3)nc(O)c2cc1C(Cl)=Cc1ccccc1,CI,0
c1ccc(NC[Si]23OCCN(CCO2)CCO3)cc1,CI,0
COc1ccc(C=CC(=O)NC2CCN3CCCC23)cc1,CI,0
CC#CC#CC=C1C=CC2(OC=CC2OC(C)=O)O1,CI,0
CC1=NN(C(=O)c2ccc(O)cc2)C(=O)C1N=Nc1ccccc1C(=O)O,CI,0
CC1=NN(C(=O)c2ccccc2Br)C(=O)C1N=Nc1ccccc1C(=O)O,CI,0
CC1=NN(C(=O)c2ccccc2O)C(=O)C1N=Nc1ccccc1C(=O)O,CI,0
CC1=NN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(=O)C1N=Nc1ccccc1C(=O)O,CI,0
CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)C(=O)C1N=Nc1ccccc1C(=O)O,CI,0
CCOC(=O)NC(=O)c1cn(CC(=O)NCC(=O)NCC(=O)NCCCN2CCN(CCCNC(=O)CNC(=O)CNC(=O)Cn3cc(C(=O)NC(=O)OCC)c(=O)[nH]c3=O)CC2)c(=O)[nH]c1=O,CI,0
CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O,CI,0
O=C(O)C1(C(=O)O)CC1,CI,0
CC1(C(=O)NCCN(CCNC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)NC3=O)CCNC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)NC3=O)CC2(C)CC(C)(C1)C(=O)NC2=O,CI,0
COC1(O)c2cccc(Cl)c2C(=O)N1C1(C(N)=O)CCCCC1,CI,0
FC(F)(F)c1nc(-c2ccccc2)oc1Sc1oc(-c2ccccc2)nc1C(F)(F)F,CI,0
COC(=O)c1c(C)c(=O)n(C)c(=O)n1C,CI,0
NC(CSCCCO)C(=O)O,CI,0
CC1(C)Cc2cc(C(=O)O)c3c(c2C1=O)COCC3,CI,0
C#CC1OC(C)(C)OC1C1OC(C)(C)OCC1O,CI,0
O=C1C=CC2=[N+]([O-])C(c3ccccc3)(c3ccccc3)C(=Nc3ccccc3)C2=C1,CI,0
CC(=NNC(=N)N)c1ccccc1,CI,0
Cc1cc2c(ccc3c(C)cc(=O)oc32)o1,CI,0
CC(=O)OC1C(OC(C)=O)C2(C)C(C(OC(C)=O)C3C2C(C)C=C2OC(=O)C(C)(O)C23C)C2C(O)C(=O)C3CC4OC4C(OC(C)=O)C3(C)C12,CI,0
CCOC(=O)c1ccc(N2C(=O)Cc3ccccc3C2=O)cc1,CI,0
Oc1nc2c(c3ccccc13)CCc1ccccc1-2,CI,0
Cn1c(=O)c2nc3c4ccccc4c(=O)n(C)c3nc2n(C)c1=O,CI,0
COc1cc2c(cc1OC)CC(=O)Nc1cc(OC)c(OC)cc1CC2,CI,0
Cc1[nH]c2ccccc2c1CCC(=NNc1ccccc1)c1ccccc1,CI,0
O=[N+]([O-])c1ccc(C=Cc2ccc(C=Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1,CI,0
CNC(=N)c1ncn(C2OC(CO)C(O)C2O)n1.Cl,CI,0
CN=C(NC)c1ncn(C2OC(CO)C(O)C2O)n1.Cl,CI,0
Nc1ncnc2c1nc(Br)n2C(C=O)OC(C=O)CO,CI,0
COc1ccc(Br)c(C(=O)N2CCc3ccccc32)c1N,CI,0
COc1cc2ccnc3c2c(c1OC)C(=O)C3=C(SC)SC,CI,0
c1ccc(-c2sc(-c3ccccc3)c3c2C(c2ccccc2)SC3c2ccccc2)cc1,CI,0
O=C1CCCC(O)=C1SC1=C(O)CCCC1=O,CI,0
CC1c2[nH]c3ccccc3c2CCN1O,CI,0
COC(=O)c1sc(C(=O)OC)c2c1CS(=O)C2,CI,0
COc1cc(O)c2c(c1)C(=O)C=C(Cl)C2=O,CI,0
COc1cc2c(cc1OC)CCN=C2,CI,0
O=C1C2C3SC(c4cc5ccccc5cc43)C2C(=O)N1c1ccccc1,CI,0
COCC1OC(=O)c2coc3c2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1OC(C)=O,CI,0
O=S1(=O)CC2C(C1)C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21,CI,0
N#CC1(Cc2ccccc2[N+](=O)[O-])c2ccccc2C2C(N1C(=O)c1ccccc1)C2(Cl)Cl,CI,0
CCC(C)C(=O)OC1CCC2(CO2)C2(COC(C)=O)C(OC(C)=O)CC(C)C(C)(CC(O)C3=CC(=O)OC3)C12,CI,0
COc1cc2c(cc1OC)C(Cc1cc(OCc3ccccc3)c(OC)cc1N)N(C)CC2,CI,0
COc1cc2c(cc1OC)C(Cc1ccc(OC)c(OC)c1Oc1ccccc1)N(C)CC2,CI,0
COc1cc2c3c(c1OC)-c1cc4c(cc1CC3(C#N)N(C(=O)c1ccccc1)CC2)OCO4,CI,0
COc1cc2c3c(c1OC)C(=NOS(=O)(=O)c1ccc(C)cc1)CC3N(S(=O)(=O)c1ccc(C)cc1)CC2,CI,0
C=CCC1C(=O)CC2(C)C(CC=C)C(=O)CC12C,CI,0
O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)C1,CI,0
c1ccc(COc2ccc3[nH]c4c(ncc5[nH]c6ccccc6c54)c3c2)cc1,CI,0
COC(=O)Cc1cc(O)nc2c1C(=O)CCC2,CI,0
CC(C)(C)c1ccccc1NS(=O)(=O)c1ccccc1,CI,0
CC12CCC3C(CC=C4CC(O)CCC43C)C1CC(C#N)C(=O)N2,CI,0
CC(=NNC(N)=S)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O,CI,0
COc1cc2c3c(c1OCc1ccccc1)NCCC3NCC2.Cl,CI,0
Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(C)oc6cc45)c3cc2o1,CI,0
CCn1c(=O)nc2n(-c3ccccc3)c3ccccc3nc-2c1=O,CI,0
Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c(-c3ccccc3)c(-c3ccccc3)nc-2c1=O,CI,0
COc1cc2c(c3c1C=CCO3)C(=O)c1ccccc1C2=O,CI,0
COC1C2c3cc4c(cc3CC(C#N)(c3ccccc32)N1C(=O)c1ccccc1)OCO4,CI,0
COC(=O)C=C(C(=O)OC)c1c2c3c(cc(OC)c(OC)c3c3ccccc13)CCN2C,CI,0
Nc1nc(N)c2nc(-c3ccco3)cnc2n1,CI,0
O=C1CC(c2n[nH]c3ccccc23)C(=O)N1c1ccccc1,CI,0
O=Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CI,0
CN(C)CCONC(=O)C12CC3CC(CC(C3)C1)C2,CI,0
CC(=O)OC1CC2(C)C(C(C)=O)CCC2C2CC=C3CC(O)CCC3(C)C12,CI,0
CCOC(=O)C1=C(C)CC2C(=O)OC(=O)C2C1(C)C,CI,0
N#CC1(Cc2ccc(N)cc2)c2ccccc2C=CN1C(=O)c1ccccc1,CI,0
O=C(C(O)c1cn(Cc2ccccc2)c2ccccc12)N1CCCCC1,CI,0
CCOC(=O)Cc1nc(C(C#N)=Cc2ccco2)nc(O)c1C#N,CI,0
COC1=CC(=O)C(=O)c2ccc(C)nc21,CI,0
COC1=CC(=O)C(=O)c2c(C)ccnc21,CI,0
COC1=C(C)C(=O)C(=O)c2cccnc21,CI,0
COC1=C(C)C(=O)C(=O)c2ccc(C)nc21,CI,0
COC1=C(C)C(=O)C(=O)c2c(C)ccnc21,CI,0
CCC1=C(OC)c2ncccc2C(=O)C1=O,CI,0
CCC1=C(OC)c2nc(C)ccc2C(=O)C1=O,CI,0
Cc1ccnc2c1C(=O)C(=O)C=C2N1CCCC1,CI,0
Cc1ccc2c(n1)C(N(C)C)=CC(=O)C2=O,CI,0
Cc1ccnc2c1C(=O)C(=O)C=C2N(C)C,CI,0
CCN(CC)C1=CC(=O)C(=O)c2cccnc21,CI,0
COc1ccc2nc3ccccc3c(NCCCCN(C)CCCl)c2c1.Cl,CI,0
O=C1c2ccccc2C(=O)C1(Cl)C1(Cl)C(=O)c2ccccc2C1=O,CI,0
C1=CC2CCC1CN2CCC1CNc2ccccc21,CI,0
O=C(C(=O)N1CC2C=CC1CC2)c1c[nH]c2ccccc12,CI,0
COc1cc(O)c(C(=O)C2Cc3ccccc32)c(OC)c1,CI,0
O=C1C=Cc2c(-c3ccccc3)oc3cccc1c23,CI,0
CC(=O)OC12C(C)=C(C)C(=O)N1c1ccccc1N2C(C)=O,CI,0
C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,CI,0
C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,CI,0
C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C,CI,0
C=C1C(OC(=O)C(OC(C)=O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C,CI,0
C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(C(O)C12)C3(C)C,CI,0
CCCC[Sn]1(CCCC)OC(=O)c2ccc(N)cc2O1,CI,0
CCCC[Sn]1(CCCC)OC(=O)c2cccc(OC)c2O1,CI,0
C=CCCC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
c1ccc([Sn](Oc2cccc3cccnc23)(c2ccccc2)c2ccccc2)cc1,CI,0
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])C(C)N(Cc1ccc([N+](=O)[O-])cc1)CC3,CI,0
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])C(C)=NCC3,CI,0
C=CCOC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C(=O)O)CCC23C)C1(C)C,CI,0
COC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)C(O)C2,CI,0
COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=C(C)C(C)=O)c(=O)n1C,CI,0
COc1nc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(C(=O)CCl)c(=O)n1C,CI,0
CC(=O)OCC1OC(Nc2cc(=O)n(C)c(=O)[nH]2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
O=C1CC2C=C(S(=O)(=O)c3ccccc3)C1N(Cc1ccccc1)C2=O,CI,0
CCC1=CC2CC(C(=O)OC)C1(N(C)C)C2=O,CI,0
N#CC1(C#N)C=CC(=C2OCC3CCCN23)C=C1,CI,0
Oc1nc2ccccc2c2c1CCO2,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1C(NC(C)=O)CC2,CI,0
CC1(CC(=O)O)C(=O)CCCC1=O,CI,0
C=CCC1(C)CCCCC1(O)CS(=O)c1ccccc1,CI,0
CC(=O)C1CC2=C(CCC1=O)CCC1(CC2)OCCO1,CI,0
COc1c(OC(C)=O)ccc(C=C2N=C(C)OC2=O)c1[N+](=O)[O-],CI,0
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC(O)C(=CCO)C(=O)O,CI,0
Nc1nc(O)c2ncn(C3OC(CO)CC3F)c2n1,CM,1
COc1nc(N)c(NC2OC(CO)C(O)C(O)C2O)c(=O)n1C,CI,0
COc1cc2c3c(c1OC)C(=O)C=C3N(S(=O)(=O)c1ccc(C)cc1)CC2,CI,0
Cc1ccc(NC(=O)SCCC(=O)O)cc1,CI,0
N#CC1=C(c2ccccc2)OC2(N)OC(c3ccccc3)=C(C#N)C12C#N,CI,0
COc1ccc(OC)c2cc(C3(C)SCCCS3)ccc12,CI,0
CC1CCC(C(C)C)C(OC2OC(=O)CC2Sc2ccccc2)C1,CI,0
CC(=O)OC1CCC(C)=CCCC2(C)C(CCC2C(C)C=CC(C)C)c2ccc(cc2C(=O)O)C1,CI,0
N#CC(NCCc1ccccc1)c1ccccc1,CI,0
N#CC(NC12CC3CC(CC(C3)C1)C2)c1ccccc1,CI,0
N#CC(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCO2,CI,0
COc1ccc(C(C#N)NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
COc1ccc2[nH]c3c(O)nncc3c2c1,CI,0
Cn1ncc2c(Nc3ccc(Cl)cc3)c3ccccc3nc21,CI,0
COC(CC1(OC)OC(=O)C=C1N)OC,CI,0
CCCC(=O)OC1C(C2COC(C)(C)O2)OC2OC(C)(C)OC21,CI,0
O=C1CCC(=O)Nc2ccccc2-c2ccccc2N1,CI,0
O=C1CCCCC(=O)Nc2ccccc2-c2ccccc2N1,CI,0
CCC1(c2c(F)c(F)c(N)c(F)c2F)CCC(=O)NC1=O,CI,0
Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1,CI,0
COc1cccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)c1,CI,0
OC(c1ccccn1)C1CNc2ccccc21,CI,0
CC1=NOC(=O)C1N=Nc1ccc(Br)c(C)c1,CI,0
CCOc1ccc(N=Cc2ccnc3ccccc23)cc1,CI,0
O=C(C(=O)C(=O)C(=O)C1C(=O)c2ccccc2C1=O)C(=O)C(=O)C1C(=O)c2ccccc2C1=O,CI,0
O=S(c1ccccc1)c1ccccc1,CI,0
CCCCC(C(=O)CCC(=O)Nc1ccc(Cl)cc1)C(=O)C(C)C,CI,0
Cc1ccc(C)c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)c1,CI,0
Cc1cccc(C)c1NC(=O)CCC(=O)NC(=N)NC#N,CI,0
COc1ccc(OC)c(NC(=O)CCCC(CC(=O)c2ccc(O)c(OC)c2)=NNc2ccc([N+](=O)[O-])cc2)c1,CI,0
C(=Cc1cc(CCc2nc3ccccc3[nH]2)n[nH]1)c1ccccc1,CI,0
N#CC(C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=NNC(=O)c1cc2ccccc2cc1O)c1ccccc1,CI,0
COc1cc2c(cc1C)[n+](=O)[c-](C)[c-](C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)Nc1cccc(Cl)c1C)[n+]2=O.[Cl-],CI,0
Cc1c(C(=O)CC(=O)C(=O)Nc2cc(Cl)ccc2Cl)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
CCOc1ccc(NC(=O)C(=O)CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1,CI,0
COc1cc(C(=O)CC(CCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(N)=O)ccc1O,CI,0
CCCC(=NNC(=O)C(N)=O)C(CC)C(=O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1,CI,0
COc1cc(C(=O)CC(CCCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(=O)c2cc3ccccc3cc2O)ccc1O,CI,0
COc1ccc2c(-c3cc4ccccc4o3)cc(=O)oc2c1,CI,0
Cc1cccc2c1CCC21OC(=O)c2c1cc(F)c1ccccc21,CI,0
COc1cccc2c1C(c1ccc3ccccc3c1)OC2=O,CI,0
COc1cccc2ccc3c(c12)C(O)OC31CCc2c(C)cccc21,CI,0
CCOC(=O)NC(=O)c1cn(CCCCCCOC(=O)NCCCCCCNC(=O)OCCCCCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O,CI,0
O=[N+]([O-])C12C3C4C1C1CC4C4([N+](=O)[O-])C3CC2C14[N+](=O)[O-],CI,0
CC1=NC(=Cc2cccc([N+](=O)[O-])c2)C(=O)O1,CI,0
NN=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1C(=O)Nc1ccc(Cl)c(Cl)c1,CI,0
NN=C1C(=O)N(C2CCCCCC2)C(=O)C1C(=O)NC1CCCCCC1,CI,0
Cc1cc(Cl)ccc1NC(=O)C1C(=O)N(c2ccc(Cl)cc2C)C(=O)C1=NNC(N)=S,CI,0
Cc1ccc(NC(=O)C2C(=O)N(c3ccc(C)cc3)C(=O)C2=NNC(N)=S)cc1,CI,0
CCOc1cc(C=C2N=C(c3ccccc3)OC2=O)ccc1O,CI,0
Cc1ccc(S(=O)(=O)O)cc1.Cc1cccc(C=NNC(=N)NO)n1,CI,0
CC12Cc3conc3C(O)=C1CCC1C2CCC2(C)C(O)CCC12,CI,0
CCn1c(C)nc([N+](=O)[O-])c1Sc1ncc[nH]1,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1nnnn1-c1ccccc1,CI,0
COC(=O)c1ccc(NC=C(C#N)c2ccsc2)cc1,CI,0
N=C1NC2=C(CCCC2)C(c2cccs2)S1,CI,0
CC1C(O)=C(O)c2ccccc2N1O,CI,0
C[C-]1C(=O)C(=O)c2ccccc2[N+]1=O,CI,0
COc1cc2c(cc1OC(=O)CC(C)O)C1C(OC2=O)C(OC(C)=O)C=C2CCN(C)C21,CI,0
Oc1cc(O)c(Oc2cccc(O)c2O)c(O)c1,CI,0
Clc1ccc(C(n2cc(Br)cn2)n2cc(Br)cn2)cc1,CI,0
O=C(O)c1ccc(O)c(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)c1,CI,0
N#Cc1c2c(c(N=[N+]=[N-])n3c1nc1ccccc13)CCCC2,CI,0
c1ccc2c3c([nH]c2c1)C1C2CCCCN2C(c2ccncc2)N1CC3,CI,0
O=C1[OH+][Co-4]23(NCCN2)([OH+]C1=O)[OH+]C(=O)C(=O)[OH+]3.[K+],CI,0
N.N[Co-4](N)([OH+][N+](=O)[O-])([OH+][N+](=O)[O-])([OH+][N+](=O)[O-])[OH+][N+](=O)[O-],CI,0
COc1ccc(C(CC(=O)O)c2ccccc2)cc1,CI,0
O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1,CI,0
O=[N+]([O-])c1ccc(C2=Nc3ccccc3S(=O)C(c3ccccc3)C2)cc1,CI,0
O=S1c2ccccc2NC(c2ccc3ccccc3c2)CC1c1ccccc1,CI,0
COc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(OC)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O.[NaH],CA,1
CN1CNC2C(=O)CCC2c2ccccc21,CI,0
COc1cc(Nc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
COc1cc(Nc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
COc1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1OC,CI,0
COc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1OC,CI,0
O=C1C(=Cc2ccccn2)c2ccccc2N1Cc1ccccc1,CI,0
COc1ccc2c(c1O)C1=CC(=O)CCC13CCN(C)C3C2,CI,0
CC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O,CI,0
Cc1ccccc1-n1c(C)nc2ccccc2c1=O,CI,0
O=C(CC(=O)Nc1ccccc1)Nc1ccccc1,CI,0
O=C(c1ccccc1)c1cccc(C(=O)c2ccccc2)c1,CI,0
O=C(CC(=O)c1ccccc1)CC(=O)c1ccccc1,CI,0
c1ccc(C2(c3ccccc3)SCCCS2)cc1,CI,0
CC(=O)NC(=O)C(C(C)=O)c1ccccc1,CI,0
O=C(NC(=O)c1ccccc1)Nc1ccccc1,CI,0
CC(C)(C)c1cc(CCC(=O)Nc2ccc(Cl)cc2)nc(NC#N)n1,CI,0
Oc1ccc(C2Oc3cc(O)cc(C4c5c(cc(O)cc5C5C(c6ccc(O)cc6)OC(c6ccc(O)cc6)C5c5cc(O)cc(O)c5)OC4c4ccc(O)cc4)c3C2c2cc(O)cc(O)c2)cc1,CM,1
Cc1cc(CS(=O)(=O)C=Cc2ccccc2[N+](=O)[O-])c(CS(=O)(=O)C=Cc2ccccc2[N+](=O)[O-])cc1C,CI,0
O=S(=O)(C=Cc1ccc(F)cc1)Cc1ccc(CS(=O)(=O)C=Cc2ccc(F)cc2)cc1,CI,0
C=CCCC12CCCC(=O)C1Sc1ccccc12,CI,0
O=C1CCCCCCCCCCOC(=O)CCCCCCCCCCO1,CI,0
O=P(c1ccccc1)(c1ccccc1)C1CC=C2CCCCCC2C1,CI,0
S=C1OC2CCCCC2O1,CI,0
Cc1c(C(=O)Nc2ccc(Cl)cc2)nc(N)nc1-c1cccc(Cl)c1,CI,0
O=C(CO)CC(=O)C(=O)Nc1ccccc1,CI,0
CCCCN(CCCC)C(=O)C(=O)C(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1,CI,0
N=C1NN(c2ccccc2)C(=O)C1C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1,CI,0
O=C(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1,CI,0
Cc1cccc(C)c1NC(=O)C(=O)C1C(=N)NN(c2ccccc2)C1=O,CI,0
COc1ccc(C(=O)C(C(=O)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccc(OC)cc2)cc1,CI,0
COc1ccc2cc1-c1cc(ccc1O)CC1NCCc3cc4c(cc31)Oc1c(c(OC)c(OC)c3c1C(C2)N(C)CC3)O4,CI,0
O=C(CCCCCCCCCCc1ccccc1)c1c(O)cccc1O,CI,0
Oc1ccccc1-c1cnnc(-c2ccccc2O)c1,CI,0
CC(=O)n1nnc2ccc([N+](=O)[O-])cc21,CI,0
CC(=O)ON=C(C)c1ccccc1O,CI,0
N=C1NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1ccc(Cl)cc1,CI,0
CCc1ccccc1NC(=O)C(=O)C(C#N)c1ccccc1Cl,CI,0
NNC(=O)C(=O)NN=C1CCCC1C(=O)CCC(=O)Nc1cccc(Cl)c1,CI,0
Cc1ccc(NC(=O)CCCC(CC(=O)c2ccc(Br)cc2)=NNC(=O)CC#N)cc1,CI,0
NNC(=O)C(=O)NN=C1CCCC1C(=O)CCC(=O)Nc1ccc(Cl)cc1,CI,0
CN(C)c1ccc2c(c1)-c1cc(N(C)C)ccc1C2=CC=C(C#N)C#N,CI,0
COc1c(Br)cc(C(=O)c2cc(Br)c(OC)c(C(=O)O)c2)cc1C(=O)O.N,CI,0
Cl.N=C(Nc1c([N+](=O)[O-])cnc2ccccc12)N1CCOCC1,CI,0
O=C1C(=Cc2ccc(Br)cc2)CCCC1=Cc1ccc(Br)cc1,CI,0
BrCC[N+]12CCCN1CCC2.[Br-],CI,0
Cc1nc2ccccc2c(=O)n1-c1ccccc1,CI,0
CC(=O)N1CCN(C=S)CC1,CI,0
O=[PH](O)c1ccccn1,CI,0
O=[PH](O)c1ccsc1,CI,0
NNC(=O)C(NC(=O)c1ccccc1)=C(N)c1cccc([N+](=O)[O-])c1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c4ccccc4nc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c3c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c4ccccc4nc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c4ccc(Cl)cc4nc23)cc1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)n1,CI,0
CCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(O)C1O,CI,0
CCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(O)C1O,CI,0
CCCCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(OC(=O)CCCCCCCCCCCCC)C1O,CI,0
CCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCC)C1O,CI,0
CCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCCCC)C1O,CI,0
CCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCCCCCC)C1O,CI,0
Cc1cc(O)c2c(c1)C(C13Cc4cc(O)c5c(c4C1C=CC(O)C3O)C(=O)c1c(O)ccc(O)c1C5=O)OC2=O,CI,0
CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(N)=O)C(C)O,CI,0
COc1cc(-c2nn3c(=O)n(-c4ccc(Cl)cc4)c(=O)nc3s2)cc(OC)c1OC,CI,0
C#Cc1cccc(N2C(=O)C3C4C=CC(C3C2=O)C2C(=O)N(c3cccc(C#C)c3)C(=O)C42)c1,CI,0
CC1Nc2ccccc2NC1C=C(C#N)C#N,CI,0
O=C1C=CC2OC(c3ccccc3)C(O)C2O1,CI,0
O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccc(F)cc1)C1C(=O)N(c2ccc(F)cc2)C(=O)C31,CI,0
CC(C)=CC1(C)C(=NO)C(C)(CC(C)C)C(=O)N1O,CI,0
CC1=Nc2ccccc2C12C(c1ccccc1)C(c1ccccc1)C(=O)N1c3ccccc3CC12,CI,0
Cc1ccc([N+]2=C[NH+](c3ccc(C)cc3)[Rh-4]345(O)[O+]=C(C(F)(F)F)[OH+][Rh-4]23(O)([OH+]C(C(F)(F)F)=[O+]4)[N+](c2ccc(C)cc2)=C[NH+]5c2ccc(C)cc2)cc1,CI,0
[O+]#C[Mo+2]12345(C#[O+])(C6=C1[C-]2C3=C64)[N+]1=Nc2ccccc2[NH+]15,CI,0
NC1=c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2=NS(=O)(O)=N1,CI,0
COc1ccc(-c2nc3c(nc2-c2ccc(OC)cc2)C(N)=NS(=O)(O)=N3)cc1,CI,0
O=S1(=O)[OH+][Zn-4]2(O)(O)([O+]=C3N=CNc4ncn2c43)[OH+]1,CI,0
CCCCOP(=O)(OCCCC)N1CCCC1C(=O)O,CI,0
C[Si](C)(C)C=CCCNC(C#N)c1ccccc1,CI,0
CC1=C(C2CC(C)CC(OCOCc3ccccc3)O2)C(C)(C)CCC1,CI,0
COc1ccc2c(c1)CCC1CC3CC21C=CC3=O,CI,0
O=C1OC(c2ccccc2)=C2CCC3CCCCN1C23,CI,0
O=S1C=C(C2=COCCC2)OC1,CI,0
O=C1C2CC=C3CCS(=O)C3C2C(=O)N1c1ccccc1,CI,0
Cl.Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N,CI,0
[O+]#C[Mo]12(C#[O+])(C#[O+])[PH](CCP(c3ccccc3)c3ccccc3)(c3ccccc3)CC[PH]1(c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1,CI,0
O=C1C2C(C(=O)N1Cc1ccccc1)N(Cc1ccccc1)C(=O)N2Cc1ccccc1,CI,0
O=C([OH+][Mn+](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+])C(F)(F)C(F)(F)F,CI,0
O=C1CC(=Cc2ccc(C=C3CC(=O)N(c4cccc(Br)c4)C3=O)cc2)C(=O)N1c1cccc(Br)c1,CI,0
O=C1CCC(=O)N2CCCCN12,CI,0
OCC[N+]12CCCN1CCC2.[Br-],CI,0
O=C1NN(c2ccccc2)C2CCCCC12,CI,0
COC(=O)N(CC1C=CCCC1)c1ccccc1I,CI,0
CC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C2CC1(OS(=O)(=O)C(F)(F)F)C1C(=O)N(c3ccccc3)C(=O)C21,CI,0
CC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C2CC1C1C(=O)N(c3ccccc3)C(=O)C21,CI,0
O=[N+]([N-][O-])C1CCCCC1=[N+]1CCOCC1,CI,0
CC1=NN(c2ccccc2)C(=O)C12C(c1ccccc1)C2(C#N)C#N,CI,0
Cc1ccc(C)c(NC(=O)CC2SC(Nc3ccccc3Cl)=NC2=O)c1,CI,0
Cc1c(Cl)cccc1NC(=O)CC1Sc2ccccc2NC1=O,CI,0
Cc1ccc(C)c(NC(=O)CC2Sc3ccccc3NC2=O)c1,CI,0
Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)c(C)c1,CI,0
Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2=O)cc1C,CI,0
CCOc1ccc(NC2=NC(=O)C(CC(=O)Nc3ccccc3[N+](=O)[O-])S2)cc1,CI,0
CCc1cccc(C)c1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O,CI,0
O=C(CC1Sc2ccccc2NC1=O)Nc1cc(Cl)ccc1Cl,CI,0
COC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl,CI,0
CC(C(=O)O)N(N=O)c1ccccc1,CI,0
O=[N+]([O-])c1ccc(NC(c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1,CI,0
COc1ccccc1C1SC(c2ccccc2)(c2ccccc2)OC1=O,CI,0
Cc1ccc(S(=O)(=O)N(C)CC(=O)c2ccccc2)cc1,CI,0
N#Cc1ccccc1Nc1ccccc1S,CI,0
O=C1CC(Br)C(c2ccccc2)(c2ccccc2)O1,CI,0
CCOC(=O)C(Cc1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1,CI,0
N#CC(C(=O)C(=NN)C(C#N)c1ccccc1)c1ccccc1,CI,0
CC(=O)C(=Cc1ccccc1)C(=O)Nc1ccccc1,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc([N+](=O)[O-])cc1,CI,0
CCOc1ccc(NC(=O)C(CC(=O)c2c[n+]([O-])c3ccccc3[n+]2[O-])=NOCCCc2ccccc2)cc1,CI,0
COC(=O)C1=C(OC)C(C(=O)OC)C23CCCC12C(C(=O)OC)C(OC)C3C(=O)OC,CI,0
CCOC(=O)C1=C(C)C(C(=O)OC)C2(C)C(C(=O)OCC)=C(O)C(C(=O)OC)C12C.[NaH],CI,0
COC(=O)C1C(=O)C(C(=O)OC)C2(C)C(C(=O)OC)C(=O)C(C(=O)OC)C12,CI,0
C=C1C(C(=O)OC)C2(C)C(C(=O)OC)C(=O)C(C(=O)OC)C2(CCC)C1C(=O)OC,CI,0
CCCC12C(C(=O)OC)C(=O)C(C(=O)OC)C1(C)C(C(=O)OC)C(=O)C2C(=O)OC,CI,0
COC(=O)C1C(=O)C(C(=O)OC)C23C(C)CCC12C(C(=O)OC)C(=O)C3C(=O)OC,CI,0
COC1=C(C(=O)OC(C)(C)C)C23CCCCCCCCCCC2(C(C(=O)OC(C)(C)C)=C(OC)C3C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C,CI,0
CC12CC(=O)CC1(C)CC(=O)C2,CI,0
COC(=O)C1C(=O)C(C(=O)OC)C2(C)C(C(=O)OC)C(=O)C(C(=O)OC)C12C,CI,0
COC(CN1CCOCCOCCOCC1)CN1CCOCCOCCOCC1.[O-][Cl+3]([O-])([O-])O,CI,0
CCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O,CI,0
NC(CO)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CO)C(=O)O,CI,0
CC(C)N(C(C)C)[P-]12C(=O)[P-]3(N(C(C)C)C(C)C)[Fe+]1(C#[O+])(C#[O+])(C#[O+])[Fe+]23(C#[O+])(C#[O+])C#[O+],CI,0
O=S1(=O)OCCOS(=O)(=O)C1Cc1ccccc1,CI,0
CN1C(=O)C(C)(C)C2(SC(C)(C)C2(C)C)N(C)C1=S,CI,0
CC(C)Cc1cnc(CC(C)C)c(-c2cc3ccccc3[nH]2)n1,CI,0
Cc1cnc(C)c(-c2cc3ccccc3[nH]2)n1,CI,0
C[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C,CI,0
CCCCCCCCCCCCCCCCc1c(O)nc(S)nc1C(=O)OC,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc2ccccc2c1,CI,0
COC(=O)c1nc(S)nc(O)c1-c1ccc(Cl)cc1,CM,1
CCOc1ccccc1NC(=O)C(=O)CC(=O)C1=C(C)Nc2ccccc2S1,CI,0
c1ccc([PH]2(c3ccccc3)CC[PH]34CC[PH](c5ccccc5)(c5ccccc5)[Pt-2]32[PH](c2ccccc2)(c2ccccc2)CC4)cc1,CI,0
CCOC(=O)c1ccc(CSc2ccccc2C(=O)OCC)cc1,CI,0
Cc1cc(Cl)cc2c1NC(=O)C2(O)CC(=O)c1ccc(Br)cc1,CI,0
Cc1ccc(NC(=O)CCc2n[nH]c(=N)o2)cc1,CI,0
COc1ccc(C(=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)cc1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccco1,CI,0
COc1ccc(C(=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3c(C)cc(Cl)cc32)cc1,CI,0
O=C1c2ccccc2CC1C1(O)C(=O)Nc2c(Cl)cc(Cl)cc21,CI,0
Cc1ccc(C(=O)CC2(O)C(=O)Nc3c(C)cc(Cl)cc32)cc1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cccc21)c1ccccc1,CI,0
N#CC1(c2nc3ccccc3o2)C(=O)C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=O,CI,0
CCCC(=O)CC(C)C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
COc1ccc(C(=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1,CI,0
CC(=NNC(=O)c1ccccc1O)c1c(O)cc(C)oc1=O,CI,0
N#CC(C(=NO)C(=NO)C(C#N)c1ccccc1)c1ccccc1,CI,0
N#CC(C(=O)C(=NNC(=O)c1ccccc1O)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
O=C1Nc2ccccc2C1=NNC(=O)c1ccccc1O,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(Br)cc1Br,CI,0
Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c1ccc2ccccc2c1,CI,0
CCCCCCCCCCCCCCCCc1c(O)nc(NC#N)nc1C(=O)OC,CI,0
NC(=O)C(=O)Cc1nc2ccccc2s1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(Br)cc1,CI,0
COC(=O)C(=NNC(=O)c1ccccc1O)C(C#N)c1ccc(Cl)cc1,CI,0
Cc1cc(NC(=O)C(=O)Cc2nc3ccccc3s2)ccc1Cl,CI,0
Cc1ccccc1NC(=O)C(=O)CC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccc(NC(=O)C(=O)Cc2nc3ccccc3o2)c(C)c1,CI,0
CC(C(=O)c1ccccc1)C1(O)C(=O)Nc2ccc(Cl)cc21,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Cl)cc1Cl,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Cl)cc1,CI,0
N#CC(C(=NNC(N)=S)C(=NNC(N)=S)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccco1,CI,0
O=C1OCCOC(=O)c2cccc(n2)C(=O)OCCOC(=O)c2cccc1n2,CI,0
O=C1C(=O)N(c2nccs2)C(=O)C(=O)C1c1nc2ccccc2s1,CI,0
O=C(CCc1nnc2sc(=Cc3ccccc3[N+](=O)[O-])c(=O)n12)Nc1cc(Cl)c(Cl)cc1Cl,CI,0
O=C(CCc1nnc2sc(=Cc3ccc4c(c3)OCO4)c(=O)n12)Nc1cc(Cl)ccc1Cl,CI,0
Cc1ccc(NC(=O)CCc2nnc3sc(=Cc4cccc([N+](=O)[O-])c4)c(=O)n23)cc1,CI,0
N#CCC(=O)N1CCCOCCC1,CI,0
Cc1ccc(CCC(=O)C(=O)O)s1,CI,0
CC=C(C)C(=O)OCC12C(OC(C)=O)CC(C)C(C)(CCC3=CC(=O)OC3)C1CCCC21CO1,CI,0
CCN(CC)CC(=O)NC1c2ccccc2Oc2ccccc21,CI,0
CCN(CC)CCC(=O)NC1c2ccccc2Oc2ccccc21,CI,0
Cc1cccc2c1Oc1ccccc1C2NC(=O)CN(C)C,CI,0
CCN(CC)CC(=O)NC1c2ccccc2Oc2c(C)cccc21,CI,0
CCN(CC)CCC(=O)NC1c2ccccc2Sc2c(C)cccc21,CI,0
Cc1cccc2c1Oc1cc(Cl)ccc1C2NC(=O)CN(C)C,CI,0
Cc1cccc2c1Sc1ccccc1C2NC(=O)CN(C)C,CI,0
COc1ccc2c(c1)OC1(O)c3cc4c(cc3OC1C2)OCO4,CI,0
COc1ccc(C2C(C#N)=C(O)NC(O)=C2C#N)cc1OC,CI,0
Cc1ccc(NC(=O)OCC(COc2ccc(Cl)cc2)OC(=O)Nc2ccc(C)cc2)cc1,CI,0
Cc1ccc(C)c(C(=O)CC2OC(O)C(Cl)C2Cl)c1,CI,0
COc1cc(C(=O)CC2OC(=O)C(Cl)=C2Cl)ccc1Cl,CI,0
O=C(CNc1nncs1)NO,CI,0
CC1CCCC(C(=O)C(=Cc2cccc(Cl)c2)C(=O)C(=O)O)C1,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1C1=CC=COC1,CI,0
CCc1ccccc1NC(=O)CCc1n[nH]c(=S)o1,CI,0
CCN(CC)c1c(C)nnn1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1ccc(NC(=O)C(=O)CC(=O)c2ccccc2)cc1C,CI,0
Cc1ccccc1NC(=O)C(=O)C(C#N)c1ccccc1C,CI,0
Cc1cn(C2C(CO)C(CO)C2(C)C)c(=O)[nH]c1=O,CI,0
O=C(CC(=O)N1N=C(n2ccc3ccccc32)CC1c1ccccc1)Nc1ccc(Cl)cc1,CI,0
O=C(CC(=O)N1N=C(n2ccc3ccccc32)CC1c1ccccc1)Nc1ccccc1Cl,CI,0
COc1cccc(NC(=O)CC(=O)N2N=C(n3ccc4ccccc43)CC2c2ccccc2)c1,CI,0
Cc1cc2c(c(C(N)=O)c1C)-c1cc(Cl)cc(Cl)c1C2=O,CI,0
COc1ccc(NC(=O)C(=NO)C(C)=O)cc1,CI,0
Clc1ccc(C2=Nc3ccccc3SC(c3cccs3)C2)cc1,CI,0
COC(=O)C(CCCCCCCC(C(=O)OC)C1=Nc2n[nH]c(=N)n2C1=O)C1=Nc2n[nH]c(=N)n2C1=O,CI,0
COC(=O)C(=O)C1CCCCC(C2=NC3NNC(=N)N3C2=O)C1=O,CI,0
Cc1cc(O)nc(CNC(=O)c2ccc3ccccc3c2)n1,CI,0
O=C1C2Nc3ccccc3SC2C(=O)N1c1cccc([N+](=O)[O-])c1,CI,0
N#Cc1cccc(C=C2C(=O)c3ccccc3C2=O)c1,CI,0
CC1(C)OC(=O)C(=Cc2ccc(F)cc2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2ccccc2F)C(=O)O1,CI,0
COc1ccc(C=C2N=C(C)OC2=O)cc1,CI,0
O=C(C(=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1,CI,0
CC(=O)N1CCSC(C(=O)Nc2ccccc2)=C1C,CI,0
CC1=[N+]2c3ccccc3[SH+][Ni-2]2(O)[OH+]c2ccc3c(C)cc(=O)oc3c21,CI,0
CC1=[N+]2c3ccccc3C(=O)[OH+][Cu-3]2(O)[OH+]c2ccc3c(C)cc(=O)oc3c21,CI,0
CC1=[N+]2c3ccccc3C(=O)[OH+][Zn-4]2(O)(O)(O)[OH+]c2ccc3c(C)cc(=O)oc3c21,CI,0
O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccc(Cl)cc1)C1C(=O)N(c2ccc(Cl)cc2)C(=O)C31,CI,0
O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccc(Br)cc1)C1C(=O)N(c2ccc(Br)cc2)C(=O)C31,CI,0
[O-][N+]1=C(c2ccccc2)COc2ccccc21,CI,0
O=C1OC2C(O)OC3COC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c5oc(=O)c6c(c(O)c(O)c7oc(=O)c4c5c76)-c4c(cc(O)c(O)c4O)C(=O)OC3C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,CA,1
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21,CI,0
COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1,CI,0
COc1ccccc1C=C1C(=O)OC(C)(C)OC1=O,CI,0
COc1cccc(C=C2C(=O)OC(C)(C)OC2=O)c1,CI,0
CC1(C)OC(=O)C(=Cc2ccc(Cl)cc2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2ccc(Br)cc2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2cccc(F)c2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2cccc(Cl)c2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2cccc(Br)c2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2ccccc2Br)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2ccc(C#N)cc2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2ccccc2Cl)C(=O)O1,CI,0
COC(=O)C1=C2Nc3ccccc3C23CCN2C(=O)CC(C1)C23,CI,0
OC1C(=Cc2ccccc2)CNCC1=Cc1ccccc1,CI,0
C[N+]1(C)CC(=Cc2ccc(O)cc2)C(=O)C(=Cc2ccc(O)cc2)C1.[IH2+],CI,0
C[N+]1(C)CC(=Cc2ccncc2)C(=O)C(=Cc2ccncc2)C1.[I-],CI,0
COc1ccc(C2CC(C)=Nc3c(O)nc(S)nc3N2)cc1,CI,0
CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2C3=c3oc(-c4ccc(O)cc4)c4c3=C(C(=O)C(C3CC(OC5CCC(OC6CC(O)C(O)C(C)O6)C(C)O5)C(O)C(C)O3)=C4)C2O)CCC1O,CI,0
CC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1,CI,0
CNS(=O)(=O)NNS(=O)(=O)c1ccc(OC)cc1,CI,0
COc1ccc(S(=O)(=O)NN=CCN2C(=O)c3ccccc3C2=O)cc1OC,CI,0
O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1ccc(F)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=CCN2C(=O)c3ccccc3C2=O)cc1,CI,0
O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1ccc(Cl)cc1,CI,0
O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1cccc([N+](=O)[O-])c1,CI,0
CC(=O)Nc1ccc(S(=O)(=O)NN=CCN2C(=O)c3ccccc3C2=O)cc1,CI,0
COc1ccc(C=NO)cc1OC,CI,0
CC1NOC(=O)C1N=Nc1ccc(Cl)cc1Cl,CI,0
N=C(NNS(=O)(=O)c1ccccc1)Oc1ccc(Cl)cc1,CI,0
CC1=NOC(=O)C1=Cc1ccc([N+](=O)[O-])cc1,CI,0
CC1=NOC(=O)C1=Cc1cccc2ccccc12,CI,0
CC1NOC(=O)C1N=Nc1ccccc1Br,CI,0
CCOC(=O)c1ccc(CS(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1,CI,0
O=C1C=CC(=CC(O)COC(=O)c2ccccc2)O1,CI,0
CCC(COC(C=C1C=CC(=O)O1)COC(=O)c1ccccc1)c1ccccc1,CI,0
COc1cc(Nc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
Cc1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(Cl)c(Cl)c1.Cl,CI,0
Clc1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1Cl,CI,0
FC(F)(F)c1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(-c3ccccc3)nc2c1,CI,0
CCN(C(C)=N)c1ccccc1,CI,0
O=C(C=C1NC(=O)CS1)Nc1ccccc1,CI,0
CCOC(=O)C1=C(NC)OCC1=NNC(=O)c1ccccc1O,CI,0
O=C(Nc1ccn(CCO)c(=O)n1)c1ccccc1,CI,0
COc1ccc(C(=O)Nc2ccn(CCOC(=O)c3ccc(OC)cc3)c(=O)n2)cc1,CI,0
O=C(Nc1nc(O)c2c(ncn2CC(COc2ccccc2)OC(=O)c2ccccc2)n1)c1ccccc1,CI,0
CC1=C(C(=O)Nc2cc(F)c(F)cc2F)C(c2ccc3c(c2)OCO3)C(C(=O)Nc2cc(F)c(F)cc2F)=C(C)N1,CI,0
CC1=C(C(=O)Nc2cc(F)c(F)cc2F)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C(C)N1,CI,0
CCC1=C(C)C2=[N+]3C1=CC1=C(C)C(CC)=C4C(C=O)=C5C(C)=C(CC)C6=[N+]5[Ni-2]3([NH+]3C(=C6)C(C)=C(CC)C3=C2)[NH+]14,CI,0
O=C1N[Se](=O)c2ccccc21,CM,1
Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)NNC(=O)C(=O)NN,CI,0
CC1=Nc2ccccc2NC(c2ccoc2)C1,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCNc3ccc4c(cc3=O)C(NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)c(=O)cc1C(NC(C)=O)CC2,CI,0
CCOC(=O)Cn1c(=O)n(C)c(=O)c2c1ncn2Cc1ccccc1,CI,0
c1ccc2c(c1)cc1n2CC2CN=NC12,CI,0
CC(O)(c1ccc(OCCC[N+](C)(C)C)cc1)C(C)(O)c1ccc(OCCC[N+](C)(C)C)cc1.[Br-],CI,0
Cc1nnc2n1N=C(c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CS2,CI,0
O=[N+]([O-])c1ccc(-c2ccc(C3=Nn4c(CNc5ccccc5Cl)nnc4SC3)o2)cc1,CI,0
Oc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(-c2ccc(Br)cc2)o1,CI,0
COC(=O)NC(=O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O,CI,0
CCOC(=O)C1=C(c2ccccc2)NC(c2ccccc2)=C(C(=O)OCC)c2c1c(=O)cc[nH]c2=O,CI,0
N#Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1N,CI,0
Cc1nc(N)c2nc(Nc3ccccc3)sc2n1,CI,0
COc1cc(NCC(C#N)C#N)ccc1N=Nc1ccc(Cl)cc1,CI,0
COc1ccc(NC(=O)CC(=O)NN=Cc2ccc(N(CCC#N)S(C)(=O)=O)cc2)cc1,CI,0
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12,CI,0
COc1cccc2c1[OH+][Cu-3]1(O)[S+]=C(N)[N-][N+]1=C2,CI,0
COc1cccc2c1[OH+][Zn-2]1(O)[S+]=C(Nc3ccccc3)[N-][N+]1=C2,CI,0
COc1cccc2c1[OH+][Cu-3]1([n+]3ccccc3)[S+]=C(N)[N-][N+]1=C2,CI,0
COc1cccc2c1[OH+][Cu-3]1([n+]3ccccc3)[S+]=C(Nc3ccccc3)[N-][N+]1=C2,CI,0
COc1cccc2c1[OH+][Pd-3]1(O)([n+]3ccccc3)[S+]=C(Nc3ccccc3)[N-][N+]1=C2,CI,0
COc1cccc2c1[OH+][Pd-2]1(O)[O+]=C(c3ccncc3)[N-][N+]1=C2,CI,0
CN(C)CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21.Cl,CI,0
CCOC(=O)c1cc(C=CC(C)=CC(=O)OC)n(C)c1C,CI,0
Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OCC2CC2)c1,CA,1
O=C(O)c1cc(O)cc(O)c1N=Nc1ccc(CCc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CA,1
NCCSC=CC(=O)O,CI,0
c1ccc2c(C3NCCc4[nH]cnc43)cccc2c1,CI,0
COc1ccc(C=NNc2ccc(S(=O)(=O)O)cc2)cc1.[NaH],CI,0
CCOC(=O)C=CSC(C)(C)C(N)C(=O)O,CI,0
CN1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)CC1,CI,0
CC1(C)OC2OC(C(O)COC(=O)c3ccccc3)C(F)C2O1,CI,0
O=C(CS)NCCNC(=O)CS,CI,0
CCOC1CC2OC(=O)C1C=C2C(=O)OC,CI,0
CC(=O)OC1CC2C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(OC(C)=O)C3(C)C(OC(C)=O)C(OC(C)=O)C(=C1C)C2(C)C,CI,0
CC(=O)OCC12C(OC(=O)c3ccccc3)C(O)C3OC(=O)C(C)CCc4ncccc4C(=O)OCC4(C)OC1(C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O)C3(C)O,CI,0
Cc1cc(O)c2c(c1)CC(O)C1=C2C(=O)c2c(O)ccc(OC3CC(O)C(OC4CC(OC5CCC(OC6CC(O)C(OC7CC(OC8CCC(O)C(C)O8)C(O)C(C)O7)C(C)O6)C(C)O5)C(O)C(C)O4)C(C)O3)c2C1=O,CI,0
N[Co-4](N)(N)(N)([N+](=O)[O-])[N+](=O)[O-].O=[N+]([O-])O,CI,0
COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c(C)c(C)nc12.Cl,CI,0
Cc1nnnn1C1C(C#N)CC2C3CCC4=Cc5nnnn5CCC4(C)C3CCC21C,CI,0
CCCCCCCCCCCCCCCCOC1OC(CS(=O)(=O)O)C(O)C(O)C1O.[NaH],CI,0
CCCCOc1cc(C[S+]2CCCC2)c(OC)cc1C[S+]1CCCC1.[Cl-],CI,0
COc1ccc2c(c1)OC1(OCCO1)C1C2CCC2(C)C1CCC21OCCO1,CI,0
CC(=O)N(C)c1ccc2c(ccc[n+]2[O-])c1[N+](=O)[O-],CI,0
CC(=O)N(C)c1ccc2ncccc2c1[N+](=O)[O-],CI,0
COCC(C#N)NC1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O,CI,0
CN1Nc2ccccc2CC1=O,CI,0
COc1ccc(Cc2c(O)nnc3ccccc23)cc1,CI,0
COc1ccc(C=NN2C(=O)Cc3ccccc32)cc1,CI,0
O=C1Cc2ccccc2N1N=Cc1ccc([N+](=O)[O-])cc1,CI,0
COC1OC2CCN(C(=O)OCc3ccccc3)C2C1OCc1ccccc1,CI,0
O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccccc1,CI,0
S=c1[nH]c2ccc(Br)cc2c(=S)n1-c1ccccc1,CI,0
O=c1c2ccccc2[nH]c(=S)n1-c1ccc(Br)cc1,CI,0
O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccc(Br)cc1,CI,0
O=C(O)CNC(=O)Cn1[se]c2ccccc2c1=O,CM,1
CCCCCCCCCCCCNC(=O)c1ccc([Se][Se]c2ccc(C(=O)NCCCCCCCCCCCC)cc2)cc1,CI,0
COCCOCC(=O)N(CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O)CCn1cnc2nc(N)nc(O)c21,CI,0
CCOC(=O)NC1C2CC(=O)OC(O2)C1OC(C)=O,CI,0
COc1ccc(COCC(Cn2ccnc2)OCc2ccc(C(=O)O)cc2)cc1,CI,0
COC1C(O)C(C)OC(OC2C(Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)OC(C)C3OC(c4ccccc4)OC32)C1O,CI,0
Cc1ccc2oc(=O)c3c(O)c4cccc(OC5OC(C)C6OC(c7ccccc7)OC6C5OC5OC(C)C(O)C(O)C5O)c4c4oc(=O)c1c2c34,CI,0
Cl.O=C1OC(CCCl)(c2ccccc2)CC1CN1CCOCC1,CI,0
O=C(O)Cc1cccc2c(=O)c3cccc([N+](=O)[O-])c3oc12.[NaH],CI,0
Cc1cc(C)c2nccc(NCCCN(C)C)c2c1[N+](=O)[O-].Cl,CI,0
Cl.O=[N+]([O-])c1cccc2nccc(NCCCO)c12,CI,0
COc1ccc([N+](=O)[O-])c2c(NCC(O)CO)ccnc12.Cl,CI,0
CC[n+]1c(C=Cc2ccc(N(CCCl)CCCl)cc2)ccc2cc(Br)ccc21.[I-],CI,0
Cl.O=[N+]([O-])c1nccn1CCCNc1c2ccccc2nc2ccccc12,CI,0
CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(N)CSSCC(C(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(C(C)C)NC1=O,CI,0
C=CCC1CCN(C=C)C1=O,CI,0
N#Cc1c(-c2ccco2)cc(-c2ccc(N)cc2)nc1O,CI,0
CC(=O)OCC1OC(n2c(-c3ccccc3)cc(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c(-c3ccc(C)cc3)cc(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1,CI,0
CC(=O)OCC1OC(n2c(-c3ccc(N)cc3)cc(-c3ccco3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c1=O,CI,0
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2C2OC(CO)C(O)C(O)C2O)cc1,CM,1
O=C1C2ON(c3ccccc3)C(c3ccccc3F)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccccc5F)C4C3=O)cc2)cc1,CI,0
CON=Cc1cc(NC(=S)c2ccoc2C)ccc1Cl,CA,1
C=C1CCc2occ(C)c2C2C1C1=C(CC(C)C1=O)C1OC12C,CI,0
CCOC(=O)Cc1nc(Cl)c2c(C)c(C)sc2n1,CI,0
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)cc2)C(=O)O1,CI,0
OCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,CI,0
Clc1ccc(SC(C=CNNC2=NC(c3ccccc3)C(c3ccccc3)=NN2)c2ccccc2)cc1,CI,0
CC=CC=NN(c1nnc(-c2ccccc2)c(-c2ccccc2)n1)S(=O)(=O)c1ccc(C)cc1,CI,0
NC(=O)c1coc(C2OC(CO)C(O)C2O)n1,CI,0
Nc1ncnc2c1ncn2C1OC(CSC(F)(F)F)C(O)C1O,CI,0
COc1ccc(C=CC(=O)C(C)(C)CN2CCCCC2)cc1.Cl,CI,0
Cc1nc(Cl)nc2c1C(=O)Nc1ccccc1N2,CI,0
O=C(O)CC1OC(=O)C(Br)=C1O,CI,0
Cc1nc2ccccn2c1N=Nc1ccc(C(=O)NN)cc1,CI,0
COC(=O)C12C3C4C1C1C2C3C41C(=O)O,CI,0
COC(=O)C12C3C4C1C1C2C3C41I,CI,0
CC1(C)COC(C23C4C5C2C2C3C4C52I)=N1,CI,0
CC(C)N(C(=O)C12C3C4C1C1C4(C#N)C3C12C#N)C(C)C,CI,0
OCC12C3C4C1C1C2C3C41CO,CI,0
O=C(O)CC12C3C4C5C3C1C5C42,CI,0
CC(C)N(C(=O)C12C3C4C5C3C1(C(=O)O)C5C42)C(C)C,CI,0
O=C(O)C12C3C4C1C1C2C3C41I,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41I)C(C)C,CI,0
CN(C(=O)C12C3C4C1C1C4(C#N)C3C12C(=O)O)C(C)(C)C,CI,0
CN(C(=O)C12C3C4C1(C(=O)O)C1C2C3(C(=O)O)C41C(=O)N(C)C(C)(C)C)C(C)(C)C,CI,0
CN(C(=O)C12C3C4C1C1C2C3C41C(N)=O)C(C)(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(=O)N(C(C)C)C(C)C)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1(I)C1C2C3(I)C41C(=O)N(C(C)C)C(C)C)C(C)C,CI,0
CN(C(=O)C12C3C4C1C1C2C3C41C(=O)N(C)C(C)(C)C)C(C)(C)C,CI,0
CN(C(=O)C12C3(C(=O)C(C)(C)C)C4C5(C#N)C3C1(C(=O)C(C)(C)C)C5C42C(=O)C(C)(C)C)C(C)(C)C,CI,0
O=C1NC23C4C5C6C4C2(N1)C6C53,CI,0
CN(C(=O)C12C3C4C1C1C2C3C41C(O)C(C)(C)C)C(C)(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(O)C(C)(C)C)C(C)C,CI,0
CN(C(=O)C12C3C4C1C1C2C3C41C(=O)C(C)(C)C)C(C)(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(=O)C(C)(C)C)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(=O)O)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(N)=O)C(C)C,CI,0
COC(=O)C12C3C4C1C1C2C3C41C(=O)N(C(C)C)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5(C#N)C3C1(I)C5C42I)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5(C#N)C3C1(C#N)C5C42C#N)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5(C(=O)O)C(C1C35I)C42C(=O)O)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5(C#N)C3C1(C#N)C5C42I)C(C)C,CI,0
CN(C(=O)C12C3C4C5C3C1(C(=O)C13C6C7C8C6C1C8C73)C5C42)C(C)(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C4(C#N)C3C12C(=O)O)C(C)C,CI,0
CN(C(=O)C12C3C4C5C3C1(C(=O)O)C5C42)C(C)(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5C3C1(C#N)C5C42)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5C3C1(C(=O)N(C(C)C)C(C)C)C5C42)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5C3C1(C(=O)N(C(C)C)C(C)C)C5(C#N)C42)C(C)C,CI,0
COC(=O)C12C3C4C1C1C2C3C41C(=O)OC(C)(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C#N)C(C)C,CI,0
CCC(=O)OC1C(C)CC2(OC(C)=O)C1C(OC(C)=O)C13COC(C)(C2OC(C)=O)C1C1C(CC1(C)OC(C)=O)C(OC(=O)c1ccccc1)C3=O,CI,0
NC(=O)C12C3C4C1C1C2C3C41C(N)=O,CI,0
CC(C)(C)c1cc(C(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)cc(C(C)(C)C)c1O.[NaH],CM,1
CCC(=O)OC(C)CC1SCCCS1,CI,0
N#CC(=Nc1ccccc1N(C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1,CI,0
CO.OCC1OC(OCC(COCc2ccccc2)OCc2ccccc2)C(O)C(O)C1O,CI,0
CCCCNC1=C2C(=O)NN=C2CO1,CI,0
Cc1ccccc1NC(=O)C(=O)C(C1OC(=O)c2ccccc21)[N+](=O)[O-],CI,0
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)C(C1OC(=O)c2ccccc21)[N+](=O)[O-],CI,0
Cc1ccc(NC(=O)C(=O)C(C2C(C)CC(=O)C2CC(=O)O)[N+](=O)[O-])cc1,CI,0
Cc1ccc(C)c(NC(=O)C(=O)C(C2C(C)CC(=O)C2CC(=O)O)[N+](=O)[O-])c1,CI,0
COc1cc(C2=NN(C)C(c3ccc([N+](=O)[O-])o3)C2)cc(OC)c1OC,CI,0
O=C(O)COc1ccc(C(=O)C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccc(Cl)cc3)SS2)=C2C=C(c3ccc(Cl)cc3)SS2)c(Cl)c1Cl,CI,0
O=C(O)COc1ccc(C(=O)C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccc(Br)cc3)SS2)=C2C=C(c3ccc(Br)cc3)SS2)c(Cl)c1Cl,CI,0
Cc1cccc(C2=CC(=C(SSC(C(=O)c3ccc(OCC(=O)O)c(Cl)c3Cl)=C3C=C(c4cccc(C)c4)SS3)C(=O)c3ccc(OCC(=O)O)c(Cl)c3Cl)SS2)c1,CI,0
O=C(O)COc1ccc(C(=O)C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccc(F)cc3)SS2)=C2C=C(c3ccc(F)cc3)SS2)c(Cl)c1Cl,CI,0
O=C(O)COc1ccc(C(=O)C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccccc3Cl)SS2)=C2C=C(c3ccccc3Cl)SS2)c(Cl)c1Cl,CI,0
CC(C)(C)C1C=C(Sc2ccccc2)C(=O)O1,CI,0
O=C(O)CN(CC(=O)O)Cc1cc(C#Cc2ccc(C#Cc3ccccc3)cc2)cc(CN(CC(=O)O)CC(=O)O)n1,CI,0
C#Cc1cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)nc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)c1,CI,0
CCOC(OC(C)=O)C1C=CC(C)N(c2ccc([N+](=O)[O-])cc2)O1,CI,0
COc1ccc(C2OC(=O)c3ccnc(O)c32)cc1,CI,0
CC(C)CN(CC(C)C)C(=O)C1CCCCC1C(=O)O,CI,0
O=C(c1nc2ccccc2nc1O)C(O)c1ccccc1,CI,0
O=C(Cc1ccccc1)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccccc1Cl,CI,0
CN(C)CCNC(=O)c1cccc(N(C)C(=O)c2ccccc2)c1[N+](=O)[O-].Cl,CI,0
Cc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)O)ccnc12.Cl.[Cl-],CI,0
Cc1nn(C(=O)CC(=O)Nc2ccc(Cl)cc2)c(C)c1N=Nc1ccccc1C(=O)O,CI,0
C=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(C(O)C(=O)c2nc3ccc(Cl)cc3nc2O)cc1,CI,0
CC(CC(=O)Nc1ccccc1)=NNC(N)=S,CI,0
CC(CC(=O)Nc1cccc(C)c1C)=NNC(N)=S,CI,0
Cc1ccnc(NS(=O)(=O)c2ccc(NC3=CC(=O)C(=O)c4ccccc43)cc2)n1,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
C[N+](C)(C)CC(=O)NN=C(C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1.[Cl-],CI,0
O=C1NC(=O)C(C(=O)C(=O)Nc2ccc(Br)cc2)C(=O)N1,CI,0
Cc1cc2c(c(C(C)(C)C)c1)O[PH](=O)Oc1c(cc(C)cc1C(C)(C)C)C2,CI,0
CN(C)CCNC(=O)c1cccc(NC(=O)c2ccccc2)c1[N+](=O)[O-].Cl,CI,0
N#CCCN(c1ccc(C=C2N=C(c3ccc(Cl)cc3)OC2=O)cc1)S(=O)(=O)c1ccccc1,CI,0
O=[N+]([O-])c1ccccc1Oc1ccccc1,CI,0
CC(CC(=O)Nc1ccc(NC(=O)CC(C)N=NC(N)=O)cc1)N=NC(N)=O,CI,0
O=[N+]([O-])c1ccc2nc(C(=NNc3ccccc3)C(O)c3ccc(Cl)cc3Cl)c(O)nc2c1,CI,0
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(C=Cc1ccc([N+](=O)[O-])cc1)=NNC(N)=S,CI,0
COc1ccc(C(O)C(=NNC(N)=S)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1OC,CI,0
NC(=S)N=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccccc1Cl,CI,0
Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1.[NaH],CI,0
CCOC(=O)C1(C(=O)OCC)CC=C(C)CC12C(=O)Nc1ccccc12,CI,0
CS(=O)(=O)c1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)[n+](-c3cc(-c4ccc(S(C)(=O)=O)cc4)c([O-])c(-c4ccc(S(C)(=O)=O)cc4)c3)c(-c3ccc(S(C)(=O)=O)cc3)c2)cc1,CI,0
CCOC(=O)C12C3C=CC(C3)C1C(=O)C1OC12,CI,0
Cc1ccc2c(c1)C1(C)c3cc(C)ccc3SP1S2,CI,0
S=P1(Oc2ccccc2)NNP2(=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)NN1,CI,0
CCCCCCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC,CI,0
CCOC(=O)C1Nc2ccc(Cl)cc2C2OCCC12,CI,0
CCOC(=O)C1Nc2ccc([N+](=O)[O-])cc2C2OCCC12,CI,0
CCOC(=O)c1nc2ccc(Cl)cc2c2c1CCO2,CI,0
O=C(c1ccccc1)C1Nc2ccc(Cl)cc2C2CCCC12,CI,0
Cl[Si]1(Cl)Oc2ccccc2O[Si](Cl)(Cl)Oc2ccccc2O1,CI,0
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC4CC(OC4(CO)C1O)C23,CI,0
CCOC(=O)C(=Cc1cc(OC)ccc1OC)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1ccc(Oc2ccccc2)cc1)C(=O)OCC,CI,0
N#CC(C#N)=Cc1ccc(Oc2ccccc2)cc1,CI,0
CC(C)(C)C(=O)C=Cc1ccc(Oc2ccccc2)cc1,CI,0
CC(C)(C)C(=O)C=Cc1cccc(Oc2ccccc2)c1,CI,0
CCOC(=O)C(=Cc1ccccn1)C(=O)c1ccccc1,CI,0
CN(C)c1ccc(C=C(C#N)C(=O)c2ccccc2)cc1Br,CI,0
CN(C)c1ccc(C=CC(=O)C(C)(C)C)cc1Br,CI,0
CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)C(=O)c1ccccc1,CI,0
COc1cc(C=C(C#N)C(=O)c2ccccc2)cc(OC)c1OC,CI,0
O=C1CCC(O)Cc2ccc(O)c(c2)-c2cc(ccc2O)CC1O,CI,0
CC1(C)c2ccccc2N2OC3C(=O)N(c4ccccc4)C(=O)C3C21c1ccccc1,CI,0
O=C1C(c2ccc(Cl)cc2)C2CC=CC2N1O,CI,0
CCCCNC(=NC#N)NCCCC,CI,0
CNS(=O)(=O)NNS(=O)(=O)c1ccc2ccccc2c1,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc(Br)cc1,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc2ccccc2c1,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(C)(=O)=O,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1cccc([N+](=O)[O-])c1,CI,0
CC(=O)Nc1ccc(S(=O)(=O)NN=C(C)CN2C(=O)c3ccccc3C2=O)cc1,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc(C)cc1,CI,0
CS(=O)(=O)NN=CCN1C(=O)c2ccccc2C1=O,CI,0
COc1ccc(S(=O)(=O)NN=C(C)CN2C(=O)c3ccccc3C2=O)cc1OC,CI,0
O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1ccc(Br)cc1,CI,0
O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1ccc2ccccc2c1,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc(F)cc1,CI,0
CC1=NN(C(=O)CC(=O)NC(=O)CC(=O)Nc2ccccc2F)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1,CI,0
N.O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2cc(Cc3ccc(O)c(C(=O)O)c3)c(O)c(C(=O)O)c2)C=CC1=O,CI,0
CC(=C1N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2ccc(Br)cc2)C1=O)c1cc2ccccc2oc1=O,CI,0
COc1cccc(C2CC23C(=O)NC(=O)NC3=O)c1,CI,0
CCCC[Sn](CCCC)(OC(=O)c1cccnc1SC)OC(=O)c1cccnc1SC,CI,0
CCSc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1-c1ccccc1,CI,0
CCOC(=O)C1(Br)C(c2ccccc2)NC(=O)N(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C1(C)Br,CI,0
Cc1cn(C2CCCCC2O)c(=O)[nH]c1=O,CI,0
O=C(O)C1OCCOCCOC(C(=O)O)C(C(=O)O)OCCOCCOC1C(=O)O,CI,0
CC(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=S)N1CCCC1,CI,0
Nc1nc[n+](Cc2ccccc2CCO)c2[nH]cnc12,CI,0
CC1=NOCC1=NNc1ccc(C(C)=NC2C3CC4CC(C3)CC2C4)cc1,CI,0
COC(=O)C(Cl)=C1CC1,CI,0
CON(C)C(=O)CCCO,CI,0
CC(=O)OCC(c1ccccc1)N1C(=O)C(OC(C)=O)C(OC(C)=O)C1=O,CI,0
COC1=C(C2=NC(C)(C)CO2)c2ccccc2C(CC=C[Si](C)(C)C)C1,CI,0
COC1=CC(=O)c2ccccc2C1(C)C1=NC(C)(C)CO1,CI,0
CC(C)C1=CC(=O)C(C)(C2=NC(C)(C)CO2)c2ccccc21,CI,0
COC1=CC(=O)c2ccc(C(C)C)cc2C1(C)C1=NC(C)(C)CO1,CI,0
CC1=CC(=O)C(C)(C2=NC(C)(C)CO2)c2ccccc21,CM,1
CC1(C)COC(C2(C)C(=O)C=C(c3ccccc3)c3ccccc32)=N1,CI,0
Cc1ccc(N(C(=O)CC(=O)NN=Cc2ccccc2O)C(=O)c2ccccc2)cc1,CI,0
Cc1ncc([N+](=O)[O-])n1CCNC(=O)Cn1ccnc1[N+](=O)[O-],CI,0
CC1=C(c2ccccc2)CON(c2ccccc2)C1,CI,0
N#Cc1ccc(C2OCC3CC=CCC3CO2)cc1,CI,0
Cn1cc(C(=O)C2CCCCC2)ccc1=O,CI,0
Cn1cc(C(=O)c2ccccc2)ccc1=O,CI,0
CC1=COC(=O)c2ccccc2N1,CI,0
CC(C)(C)C1COC2(c3ccccc3)C3CC3C(=O)N12,CI,0
O=C1OCCN(c2cccc(Cl)c2)CCO1,CI,0
CC1CN(c2ccc(Cl)cc2)CC(C)OC(=O)O1,CI,0
NC(=O)NC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1,CI,0
Cc1cc(C)c(C(=O)C(C)C(c2ccccc2)c2ccc(Cl)cc2)c(C)c1,CI,0
O=c1nc(-c2ccccc2)scc1-c1ccccc1,CI,0
C=CCC1(C(C)C(OC(C)=O)c2cc(OC)c(OC)c(OC)c2)CC(OC)CCC1=O,CI,0
COC(=O)C(C(=O)C(=O)Nc1nc2ccc(OC)cc2s1)c1cnc2ccccc2n1,CI,0
O=C(Nc1cccc(C(F)(F)F)c1)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21,CI,0
OCCN1CCN2C=C(C3CCCC4N(CCO)CCN34)CCC21,CI,0
NN1C(=O)C(CCO)SC1=NN=C1SC(CCO)C(=O)N1N,CI,0
CC(=O)OC(OC(C)=O)c1ncccc1C(=O)OC(C)C,CI,0
CC(C)OC(=O)c1cccnc1C=NO,CI,0
CC1(C)COC(c2cccnc2C=NO)=N1,CI,0
CC(C)(C)OC(=O)c1cccnc1C=NO,CI,0
C(=NOCc1ccccc1)c1ncccc1C1OCCO1,CI,0
COC(OC)c1cccnc1C,CI,0
CN(C)C(=O)Oc1ccc(C=NO)[n+](C)c1.[I-],CI,0
CCN(CC)C(=O)Oc1ccc(COC(C)=O)nc1,CI,0
CC(=O)OCc1cc(OC(C)=O)cnc1COC(C)=O,CI,0
CCOC(=O)C(=Cc1cccnc1C)C(=O)OCC,CI,0
CCN(CC)C(=O)Oc1ccc(C=NO)nc1,CI,0
CC(=O)ON=Cc1ncccc1OC(C)=O,CI,0
CC(=O)OCc1ncccc1C(OC(C)=O)OC(C)=O,CI,0
C[N+]1=C(c2ccc[n+](C)c2C=NO)OCC1(C)C.[I-],CI,0
CC(=O)ON=Cc1ncccc1CO,CI,0
O=S1Cc2nc3ccccc3n2C1c1c(F)cccc1F,CI,0
COc1c(OCc2ccccc2)c(OCc2ccccc2)cc(CO)c1-c1c(CO)cc(OCc2ccccc2)c(OCc2ccccc2)c1OC,CI,0
Clc1ccc(-c2c(C3=NCCN3)nnn2-c2ccccc2)cc1,CI,0
COc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccc([N+](=O)[O-])cc2)cc1,CI,0
O=[N+]([O-])c1ccc(-n2nnc(C3=NCCCN3)c2-c2ccc(Cl)cc2)cc1,CI,0
COc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccc(Cl)cc2)cc1,CI,0
Clc1ccc(-n2nnc(C3=NCCCN3)c2-c2ccccc2)cc1,CI,0
Clc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccc(Cl)cc2)cc1,CI,0
COc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccccc2)cc1,CI,0
Cc1cc(C)c(-c2noc(-c3ccc(Cl)cc3)c2C2=NCCN2)c(C)c1,CI,0
CCOC(=O)C(C(=O)c1ccccc1)=C1NCCN1,CM,1
CC(=O)C=C1Nc2ccccc2N1,CI,0
Nc1ccc2c(SCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CSc3c4ccccc4nc4cc(N)ccc34)c3ccccc3nc2c1,CI,0
O=[N+]([O-])c1ccc2c(Nc3ccccc3-c3ccccc3Nc3c4ccccc4nc4cc([N+](=O)[O-])ccc34)c3ccccc3nc2c1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(NC(OC)c2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1)C(=O)OCC,CI,0
COc1ccc(Nc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1OC,CI,0
O=C(c1ccccc1)c1ccc(OCCOc2ccc(Nc3ccccc3)cc2)cc1,CI,0
CCC(CC)n1cc(C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)c2cn(C(CC)CC)c(=O)[nH]c2=O)c(=O)[nH]c1=O,CI,0
COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3C[N+]1([O-])CC2,CI,0
COc1ccc(OC)c(CCc2cc(OC)c(OC)cc2C)c1,CI,0
O=C1CC2C(CCC23CCCC3)N1,CI,0
CCOC(=O)C(C=O)=[N+]1c2ccccc2N(C)[C-]1C,CI,0
CCOC(=O)C(C(=O)c1ccccc1)=[N+]1c2ccccc2N(C)[C-]1C,CI,0
Cc1ncc([N+](=O)[O-])n1CC(O)Cn1ccnc1[N+](=O)[O-],CI,0
COCCOCOC(CCCCO)c1cc(C)c(O[Si](C)(C)C(C)(C)C)c(C)c1,CI,0
c1ccc(OCCSCCCCCCCCCCSCCOc2ccccc2)cc1,CI,0
O=C(C=Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1)c1ccccc1,CI,0
O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1,CI,0
CCOC(=O)C1=NC(c2ccccc2)(c2ccccc2)OC1=C(Cl)Cl,CI,0
O=C1C2Cc3ccccc3CN2C(=O)N1CN1CCN(CN2C(=O)C3Cc4ccccc4CN3C2=O)CC1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(Sc1ccccc1)=C(NC(=O)C=Cc1ccccc1)C(=O)Sc1ccccc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(c2cc([N+](=O)[O-])ccc2Cl)N(NC(=O)c2ccc(N=Cc3ccc(N(CCC#N)S(C)(=O)=O)cc3C)cc2)C1=O,CI,0
CC(C)ON=Cc1cc(NC(=S)OC(C)C)ccc1Cl,CA,1
CC(=O)OCC1OC(Nc2[nH]c(=O)n(C)c(=O)c2-c2csc(=N)[nH]2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CSc1nc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c2c(n1)OCC2=O,CI,0
O=[N+]([O-])c1ccc(CNC2=NN=S(=O)(O)c3ccccc32)cc1,CA,1
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CI,0
N#CC1([N+](=O)[O-])C=C1c1ccccc1,CI,0
CCCCCCCc1cc(OC(=O)c2c(C)cc(OC)cc2O)cc(O)c1C(=O)O,CI,0
CCCCCC(=O)Cc1cc(OC)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CC(=O)CCCCC)c1O2,CI,0
Cn1nc2ccc3nccc(NCCNCCO)c3c2n1,CI,0
CC(c1ccccc1)N1OC12CCC1(C)C(CCCC13OCCO3)C2,CI,0
CCOC(OC1=CCCC1)C(C)[Se]c1ccccc1,CI,0
CCOC(OC1=C(C#N)CCCC1)C(C)[Se]c1ccccc1,CI,0
CCOC(=O)C1(CC=C(C)Cl)CCCC1=O,CI,0
N#CC12CCC(O)C(CC1)C2=O,CI,0
CCOP(=O)(OCC)OC1C=CC2CCC1C2,CI,0
CCOC(=O)CC(C)C1(C(=O)OC)CCCC1=O,CI,0
CCOC(=O)CC(C)C1(C=O)CCCCC1=O,CI,0
CCCC(OCC)(OCC)OCC,CI,0
CCOC(=O)CCC1(C(=O)OC)CCCC1=O,CI,0
BrC12C3C4C5C(C(C43)C13OCCO3)C52,CI,0
CC(C)(c1ccccc1)c1ccc(OC#N)cc1,CI,0
CC(C)(c1ccc(Oc2ccc(C#N)c(C#N)c2)cc1)c1ccc(Oc2ccc(C#N)c(C#N)c2)cc1,CI,0
N#Cc1ccc(Sc2ccccc2)cc1C#N,CI,0
CC(C)(C)c1cc(Oc2ccc(C#N)c(C#N)c2)cc(C(C)(C)C)c1,CI,0
N#Cc1ccc(Oc2cccc(Oc3ccccc3)c2)cc1C#N,CI,0
CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(=N)[nH]2)C(=O)N1S(=O)(=O)O,CI,0
CC(=CC(=O)OCCCCCCCC(=O)NC1CCCNC1=O)C(O)C1OCC(CC=CC(C)C(C)O)C(O)C1O,CM,1
Cc1ccc(NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)cc1C,CI,0
O=C1NC(=O)C(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1,CI,0
N#CC(C(=NNC(=O)c1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1,CI,0
O=C1NC(=O)C(C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1,CI,0
Cn1c(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc21,CI,0
O=C(Nc1nc2ccccc2n1Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
Cl.Cn1c(=N)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21,CI,0
Cl.N=c1n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2n1Cc1ccccc1,CI,0
[N-]=[N+]=NC1OC(=O)C(Cl)=C1N=P(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=C(O)C=Cc1ccc(Oc2ccccc2C(=O)O)o1,CI,0
Cc1ccc(NC(=O)C(=NNC(=O)C[N+](C)(C)C)c2nc3ccccc3nc2O)cc1.[Cl-],CI,0
COC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)c1ccncc1,CI,0
N=C(N)N=C(C=Cc1ccccc1)CC1OC(=O)c2ccccc21,CI,0
Cn1c(=O)cc2[nH]c3ccccc3n2c1=O,CI,0
O=C1NC(=O)c2ccc([N+](=O)[O-])c3cccc1c23,CI,0
CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
CC(=O)C=C1Nc2ccccc2-n2nnnc21,CI,0
Cc1ncc([N+](=O)[O-])n1CCNCCCn1ccnc1[N+](=O)[O-].Cl,CI,0
Cl.O=[N+]([O-])c1cccc2nccc(NCCN3CCOCC3)c12,CI,0
Cc1nc2c(C)ccc([N+](=O)[O-])c2c(NCCCN(C)C)c1C.Cl,CI,0
O=[N+]([O-])c1ccc(COc2cccc3cccnc23)cc1,CI,0
O=C(C=Cc1ccccc1)Oc1cccc2cccnc12,CI,0
CCOC(=O)C1=C(C)C2C3C(=O)OC(=O)C3C1(C)C1C(=O)OC(=O)C21,CI,0
Nc1nc(O)c2ccn(C3C=CC(CO)C3)c2n1,CI,0
CN(C)C(=O)CC(C(=O)O)c1c[nH]c2ccccc12,CI,0
CCN(N=C1CC2C=CCN(C2)C(=O)Cc2c1[nH]c1ccccc21)S(=O)(=O)c1ccc(C)cc1,CI,0
CCC1(CC(=O)N(C)C)C=CCN(C(=O)Oc2ccccc2)C1,CI,0
O=C(c1cc2c(C(F)(F)F)onc2c2ccccc12)C(F)(F)F,CI,0
O=C1CCC(Cl)=CC2CCCN12,CI,0
O=C(Nc1ccccc1[N+](=O)[O-])C(=NNc1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O,CI,0
O=C(CC(=O)C(=O)Nc1ccccc1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0
CC1(C)CC(=O)C(CC2C(=O)CCCC2=O)C(=O)C1,CI,0
Cc1cc(S(=O)(=O)O)c(NC(=O)C(=O)Cc2cc(=O)oc3cc(O)ccc23)cc1Cl,CI,0
Cc1c(Cl)cccc1NC(=O)C(=O)c1c(O)c2ccc(O)cc2oc1=O,CI,0
CN(C)N=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(C(O)C(=NN(C)C)c2nc3ccc(Cl)cc3nc2O)cc1,CI,0
COc1ccc(Br)c2c1CC(C(=O)O)CC2,CI,0
Oc1cccc2nc3cc(CN4CCOCC4)c(CN4CCOCC4)cc3nc12,CI,0
COC(=O)C1(C)NCCc2c1[nH]c1ccccc21,CI,0
COC(=O)C1(C2CCOC2=O)NCCc2c1[nH]c1ccccc21,CI,0
C=CCC(C(=O)OC)C1(C(=O)OC)NCCc2c1[nH]c1ccccc21,CI,0
CC1(C)C(=NNC(=S)NN)C(C)(C)C1=NNC(=S)NN,CI,0
CC(=O)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=NNS(=O)(=O)c1ccc(C)cc1)C(CN1CCOCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
O=C(Cc1ccccc1)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc(C(O)C(=NNC(=O)Cc2ccccc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1,CI,0
N=S(=O)(c1ccccc1)c1ccccc1[N+](=O)[O-],CM,1
O=C1OCC(O)C(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC2C4c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,CM,1
CC1(c2ccc[n+](Cc3ccccc3)c2)OCCO1.[BrH2+],CI,0
O=C1CCC(c2ccccc2)C(O)(C(=O)O)C1,CI,0
C=C(Br)CC12CC3(CCC1c1ccc(OC)cc1C2=O)OCCO3,CI,0
COC(=O)C1CC23CC1(OC(C)=O)CCC2c1ccc(OC)cc1C3=O,CI,0
O=C1CC(Br)=Cc2ccccc2-c2ccccc21,CI,0
O=Cc1ccc2c(c1I)OCO2,CI,0
C=C1CC2CCCC12C=O,CI,0
CC1(C(=O)O)CCCC2(C)C3CCC4(C=C3CCC12)SCCS4,CI,0
COC(=O)C1(C)CCCC2(C)C3=C(CCC12)CC1(CC3)SCCS1,CI,0
Cc1ccc2c(c1)SC(c1cc3c(cc1Br)OCO3)S2,CI,0
COC(=O)C1C2c3ccccc3-c3ccccc3C2(OC(C)=O)C1(Cl)C(=O)OC,CI,0
COC12c3ccccc3-c3ccccc3C1C1C(=O)OC(=O)C12,CI,0
CC(=NNC(=O)c1ccccc1S(N)(=O)=O)C(CN1CCCCC1)C(C1=C(O)C2C=CC=CC2OC1=O)c1ccccc1.Cl,CI,0
CC(=NO)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CN(C)N=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CNN=C(C)C(CN1CCCCC1)C(C1=C(O)c2ccccc2OC1)c1ccccc1.Cl,CI,0
Cl.O=c1oc2ccccc2c(O)c1C(CC(CCN1CCCC1)=NNc1ccccc1)c1ccccc1,CI,0
CNN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
COC(=O)NN=C(C)C(CN1CCCCC1)C(C1=C(O)c2ccccc2OC1)c1ccccc1.Cl,CI,0
O=c1[nH]c2cc(-c3ccccc3)nc-2nn1-c1c(Cl)cc(Cl)cc1Cl,CI,0
COC(=O)C(=Cc1ccc(OC)cc1)C(C(=O)O)=C1CCCC1,CI,0
COC(=O)C(Br)C1CCc2ccccc21,CI,0
CC(=NN)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CCn1cc[n+]([Pt-2]([I-])([I-])[n+]2ccn(CC)c2)c1,CI,0
Cc1c2cc(Cl)ccc2n2c(=O)c3ccccc3[nH]c(=O)c12,CI,0
CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(c4ccoc4)C(O)C4OC43C12C,CI,0
CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)CC2C)CC1,CI,0
CC1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(CCCCN(C)C)CC1,CI,0
CC1CC(=O)Nc2ccc(Cl)cc2N1C(=O)CN1CCC(CCCCN(C)C)CC1,CI,0
CCN(CC)CCCCC1CCN(CC(=O)N2c3cc(Cl)ccc3NC(=O)CC2C)CC1,CI,0
CCN(CC)CC1CCCCN1CC(=O)N1CC(C)C(=O)Nc2ccccc21,CM,1
CC1CN(C(=O)CN2CCC(CCCCN(C)C)CC2)c2ccccc2NC1=O,CI,0
Cc1cc2occ(C)c(=O)c2c2c1OC(C)(C)S2,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C#Cc1ccc(C(F)(F)F)cc1,CI,0
C1=C2CN3CCC45c6ccccc6N6CCC(OC1)C(C2CC34)C65,CI,0
COC(=O)C=CC1CC(CCCOc2ccccc2)OC(c2ccccc2)O1,CI,0
c1ccc(SCc2ccc3c(c2)OCO3)cc1,CI,0
COc1cc(C(O)C2C(=O)OCC2C2(c3ccc4c(c3)OCO4)SCCCS2)cc(OC)c1OC,CI,0
O=c1n(-c2ccccc2)c(=O)n2n1Cc1cc3ccccc3cc1-2,CI,0
CC1(CO)C(=O)OC12CCCCC2,CI,0
CN(C)CCNC(=O)c1ccc(NC(=O)c2nc([N+](=O)[O-])cn2C)cc1.Cl,CI,0
Cc1c([N+](=O)[O-])ccc2c(NCCCN(C)C)ccnc12.Cl,CI,0
Cc1nc2cc([N+](=O)[O-])ccc2c(NCCCN(C)C)c1C.Cl,CI,0
Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCCn1cnc([N+](=O)[O-])n1,CI,0
Cc1ccc(S(=O)(=O)NC(=O)C2S(=O)(=O)OCCOS2(=O)=O)cc1,CI,0
O=S1(=O)OCCOS(=O)(=O)C1(Br)Br,CI,0
O=S1(=O)OCCOS(=O)(=O)C1Br,CI,0
O=S1(=O)OCCOS(=O)(=O)C1Cl,CI,0
O=S1(=O)OCCOS(=O)(=O)C1(Cl)Cl,CI,0
O=S1(=O)OCCOS(=O)(=O)C1(I)I,CI,0
CC1(C)OC([O-])=C(C#N)C1=C[n+]1ccccc1,CI,0
CC1(C)OC(=O)C(C#N)=C1C=C1OC(=O)c2ccccc21,CI,0
O=CC1=CCCN(CCc2c[nH]c3ccccc23)C1,CI,0
O=CC1=CCC2c3[nH]c4ccccc4c3CCN2C1,CI,0
OCc1ccc2[n+](c1)CCC1c3ccccc3NC21.[Br-],CI,0
COC(=O)C=CC1C2C3(CCC(C)C12C)OCCS3,CI,0
CCOP(=O)(CC(=O)c1ccccc1)OCC,CI,0
CCCCCCC1CCC2C(CCC(O)C2CO)C1,CI,0
CC1(C)Cc2c(oc3ncnc(N)c23)CS1,CI,0
CO.COc1cc2c(cc1OC)C(=O)C(C1=C(SC(=N)N)C(=O)c3cc(OC)c(OC)cc31)C2,CI,0
OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12,CI,0
CC1Cn2c(=S)[nH]c3cccc(c32)NC1=O,CI,0
CCc1cccc(C(C)C)c1NC(=O)C(=O)C1C(=O)Nc2ccccc2S1=O,CI,0
COC(=O)C(=NNC(N)=O)C(C(=O)C(=O)Nc1ccccc1OC)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
[N-]=[N+]=C1C(=O)C2CC3CC1CC2C3,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(Oc2ccccc2)cc1,CI,0
Nc1nc(O)c2ncn(C3C=CC(O)CC3)c2n1,CI,0
O=C(c1ccccc1)c1cc(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(C(=O)c5ccccc5)c5cccnc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ncccc12.[NaH],CI,0
O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1.[NaH],CM,1
CC1(OCc2ccccc2)C(=O)N2C1N(C(=O)OCc1ccccc1)CC2(C)C,CI,0
CC1NC(=O)c2cc(O)nc(O)c21,CI,0
CC1c2c(cc(O)n(C)c2=O)C(=O)N1Cc1ccccc1,CI,0
CC1c2c(cc(O)n(C)c2=O)C(=O)N1C,CI,0
CCC1c2c(cc(O)nc2O)C(=O)N1C,CI,0
CC(=O)Oc1cc2c(c(=O)n1C)C(C)N(C)C2=O,CI,0
Cc1nc([N+](=O)[O-])cn1CC(=N)N.Cl,CI,0
CCCCCCCCCCCCNC1(C)CNCCCNCCNCCCNC1,CI,0
CCCCCCCCCCCC[N+]12CC[N+](C)(CC1)CC2.[I-],CI,0
O=c1c(-c2ccccc2)c2oc(c1-c1ccccc1)CSCc1cccc(c1)CSC2,CI,0
CC(NC(=O)n1c2ccccc2c2ccccc21)C(=O)O,CI,0
N#CC1=C(N)CCSSSC1,CI,0
COC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)C(OC)(c1ccccc1)C(F)(F)F,CI,0
CC(C)C1COC(c2cccc(C3=NC(C(C)C)CO3)n2)=N1,CI,0
CC(C)C(CCl)NC(=O)c1cccc(C(=O)NC(CCl)C(C)C)n1,CI,0
COC(=O)C1C=CCON2CCc3c(n(S(=O)(=O)c4ccccc4)c4ccccc34)C12,CI,0
COc1cc(CNc2cnc3ccc(N)cc3n2)cc(OC)c1OC,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1)C(=O)OCC,CI,0
CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3,CI,0
CC1=CC2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3OC3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4C(C1)C23,CI,0
Cn1cc2ccccc2c1-c1nc(F)nc(F)n1,CI,0
O=C1Cn2nc(C(=O)c3ccccc3C#Cc3ccccc3)c(-c3ccccc3)c2-c2ccccc21,CI,0
CC(C)(C)[Si](C)(C)OCCc1ccccc1C1CC2(S(=O)(=O)c3ccccc3)ON1CC2S(=O)(=O)c1ccccc1,CI,0
CC(C)(C)[Si](C)(C)OCCC1CC2(S(=O)(=O)C3=CC=C=C=C3)ON1CC2S(=O)(=O)c1ccccc1,CI,0
C=C=C(Sc1ccccc1)C(C)(C)O,CI,0
CCCCCCCOc1ccc(C=Cc2cc[n+](CCCCCCCC[n+]3ccc(C=Cc4ccc(OCCCCCCC)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc(Cl)cc2nc1O,CI,0
CCOc1ccc2nc(NC(=O)C(CC(=O)CC(C3=C(O)c4ccccc4CC3=O)c3ccccc3)=NO)sc2c1,CI,0
CS(=O)(=O)CSCSSCS(C)(=O)=O,CI,0
COc1cc2c(cc1OC)C1(c3ccccc3)ON=C(c3ccccc3)N1CS2,CI,0
c1ccc(C2=NOC3(c4ccccc4)SC4CCCCC4CN23)cc1,CI,0
Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCn1ccnc1[N+](=O)[O-],CI,0
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1[nH]c1ccc(NC3OC(CO)C(O)C(O)C3O)cc12,CI,0
CS(=O)(=O)NNS(=O)(=O)c1ccc2ccccc2c1,CI,0
CCCN1C(=O)c2cc(O)n(Cc3ccccc3)c(=O)c2C1C,CI,0
CCCCN1C(=O)c2cc(O)nc(O)c2C1C,CI,0
Cc1ccc(C(=O)CCC2C(=O)CC(C)(C)CC2=O)cc1,CI,0
Cc1nc(C(N)=S)sc1C(CC(=O)C(=O)Nc1cccc2ccc(O)cc12)=NNC(=O)c1ccncc1,CI,0
CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1.Cl,CI,0
CN(C(=O)C12C3C4C1C1C2C3C41I)C(C)(C)C,CI,0
CC(C)(C)NC(=O)C12C3C4C1C1C2C3C41I,CI,0
Cn1c(=O)c(N=Nc2c(=O)n(C)c(=O)n3c2[nH]c2ccccc23)c2[nH]c3ccccc3n2c1=O,CI,0
COc1ccc(C2Oc3c(cc(O)c(OC)c3C)C2C)cc1OC,CI,0
COc1ccc(C2C(C)C3C(=O)C=CC(=O)C32)cc1OC,CI,0
COC1=CC(=O)C2C(C)C(c3ccc(OC)c(OC)c3)C2C1=O,CI,0
COC1=CC(=O)C2C(C)C(c3ccc(Cl)cc3)C2C1=O,CI,0
COC1=CC(=O)C2C(C)C(c3ccccc3)C2C1=O,CI,0
COC1=C(C)C(=O)C2C(C)C(c3ccc(OC)c(OC)c3)C2C1=O,CI,0
COC1=CC(=O)C2C(C)C(c3ccccc3)C2(C)C1=O,CI,0
COC1=CC(=O)C2(C)C(C)C(c3ccccc3)C2C1=O,CI,0
COC1=CC(=O)C2(C)C(C1=O)C(C)C2c1ccccc1,CI,0
CC1=C(O)C(=O)C2C(=O)C1C(C)C2c1ccc(Cl)cc1,CI,0
CNC(=O)CN(CC(=O)O)C(=O)NC,CI,0
COc1cc2c(cc1OC)C(C(CO)CO)N(CC(O)CCl)CC2,CI,0
COc1cc2c(cc1OC)C(C(CBr)CBr)N(C1CCCC1)CC2,CI,0
O=c1cnn(C2OC(CO)C(F)C2F)c(=O)[nH]1,CI,0
Br.CCN1CCC(O)(c2ccc(C)cc2)C(C(=O)c2ccc(C)cc2)C1,CI,0
CC1CC(O)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)CC3OC2O1,CI,0
ClCC1(CCl)COC1,CI,0
CC1(C)OCC(CO)(CO)CO1,CI,0
[Cl-].c1ccc([P+](CCSCCSCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
Cl.N=C(N)SCCC(=O)CCSC(=N)N,CI,0
CCCCc1c2c(nc3c1CCCC3=Cc1ccccc1)C(=O)C(CN(C)C)CC2,CI,0
CCCCSC(=CC(=O)c1cccc(C(=O)C=C(SCCCC)SCCCC)n1)SCCCC,CI,0
Cc1ccc(S(=O)(=O)N2CCCSCCN(S(=O)(=O)c3ccc(C)cc3)CCCSCC2)cc1,CI,0
c1ccc2c(c1)SCCCS2,CI,0
C1CCC2SSC3CCCCC3SSC2C1,CI,0
C1CSCC2COCC(CSCCS1)S2,CI,0
C1CSCCSCCSCCSCCS1,CI,0
C1CCSCCCCSCCCCSCCCCSC1,CI,0
CC(C)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NNC(=S)Nc1ccccc1,CI,0
CCOC(=O)CSc1nnc(C(Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C(C)C)n1-c1ccccc1,CI,0
Cc1c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C,CI,0
Cc1c(-c2coc(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C,CI,0
Cc1c(-c2coc(-c3ccc(Cl)cc3)n2)c(=O)n(-c2ccccc2)n1C,CI,0
CCOC(=O)C(C)Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1,CI,0
COc1ccc(CCCN2c3ccccc3Sc3ccccc32)cc1,CI,0
O=[N+]([O-])c1nccn1CC1OC(n2ccnc2[N+](=O)[O-])C(O)C(O)C1O,CI,0
N#CC(=Cc1ccc2[nH]ccc2c1)C(=O)c1ccc(O)c(O)c1,CI,0
CC(=O)OC1CC2C3(C)CC4OC(C)(O)CC(C)C4C3(C)CCC23CC32CCC(OC3OCC(O)C(O)C3O)C(C)(C)C12,CI,0
CCCCN(CCCC)C(=NC#N)NCc1ccccc1,CI,0
CN(C)C(=NC#N)N(Cc1ccccc1)Cc1ccccc1,CI,0
CC(=C1CCCC(=C(C)c2ccccc2)C1=O)c1ccccc1,CI,0
CSc1nc(O)c2nc(C)c(C)nc2n1,CI,0
Cc1c(C=NN(C)C)oc2c1cc(O)c1ncccc12,CI,0
CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CCC3OC(=O)CCl,CI,0
CC(=O)NC1=C(C)C(=O)c2c(nc3n2CCC3O)C1=O,CI,0
CCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O,CI,0
CC(=O)NC1=C(C)C(=O)c2c(nc3n2CCC3OC(=O)CCl)C1=O,CI,0
CN(C)C(F)=PC(F)(F)F,CI,0
CC1CCC2C(C3OC(=O)CC4CCC(C)C43)C(=O)OC(C3=CCCC3)C12,CI,0
CC1C=C(CCCCCCCCCCCCC(O)C2CCC(C3CCC(C(O)CCCCCCCCCCCCC4=CC(C)OC4=O)O3)O2)C(=O)O1,CI,0
C=CCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CCCCC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC,CI,0
Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1N=NN(C)C,CI,0
CCOC(=O)C(NC(=O)c1nc[nH]c1N=NN(C)C)C(C)C,CI,0
CCOC(=O)C(NC(=O)c1nc[nH]c1[N+](=O)[O-])C(C)C,CI,0
CCOC(=O)CCC(NC(=O)c1nc[nH]c1[N+](=O)[O-])C(=O)OCC,CI,0
Cc1c(C)n(COCCO)c2ncnc(N)c12,CI,0
O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2,CI,0
CCOC(=O)CC(NCc1ccc(N=Cc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1)C(=O)OCC,CI,0
C#CCN(Cc1ccc2nc(-c3ccccc3)c(Cl)nc2c1)c1ccc(Cl)c(Cl)c1,CI,0
COc1cc(CNc2cnc3cc(N)ccc3n2)cc(OC)c1OC,CI,0
COc1cc(Nc2nc3cc(C)ccc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2O)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cccc(O)c2)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(O)cc2)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cccc([N+](=O)[O-])c2)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc([N+](=O)[O-])cc2)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(Cl)cc2)cc1,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1,CI,0
Cc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)ccc1O,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1OC,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc(Br)c1O,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cc(Br)ccc2O)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cc(Br)cc(Br)c2O)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2Cl)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2O)cc1,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(O)cc2)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc([N+](=O)[O-])cc2)cc1,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)ccc1O,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1OC,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2C=Cc2ccccc2)cc1,CM,1
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2=Cc2ccco2)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cc(Br)ccc2O)cc1,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(Cl)cc2)cc1,CI,0
O=C([O-])c1n[nH]c2c1N=[N+](c1ccc(C=Cc3ccc([N+]4=Nc5c(C(=O)[O-])n[nH]c5[OH+][Cu-]4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1)[Cu-][OH+]2.[Na+],CI,0
c1ccc2c(c1)nnn2CNc1ccc(N2CCCCC2)cc1,CI,0
CCOC(=O)c1ccc(-n2c(SCC)nc3sc(C)c(C)c3c2=O)cc1,CI,0
Cn1c2c(O)c(O)ccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3,CI,0
CC(C)C(=O)C=Cc1ccc(Cl)cc1,CI,0
CC(=O)OC1SC(c2c(F)cccc2F)n2c1nc1ccccc12,CM,1
Cc1cc(C)c(S(=O)(O)=[OH+])c(C)c1.N[S+]1Cc2nc3ccccc3n2C1c1c(F)cccc1F,CM,1
C1OC1C1CCC(C2CCC(C3CO3)O2)O1,CI,0
CC(=O)O.CCN(CC)CC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN(CC)CC)cc1C2=O,CI,0
CC(=O)O.CCN(CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN(CC)CC)cc1C2=O,CI,0
CC(=O)O.O=C(CCN1CCCCC1CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3CCO)cc1C2=O,CI,0
CC(=O)O.O=C(CCN1CCC(CCO)CC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCC(CCO)CC3)cc1C2=O,CI,0
CI.O=C(CCC1CCCCN1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3)cc1C2=O,CI,0
Cl.Cn1ccnc1CCc1c(Cl)cccc1Cl,CI,0
CCOC(=O)C1=C(N)N(c2ccccc2)C(=C(C#N)c2nc3ccccc3[nH]2)S1,CI,0
CC1(C)CN=CC(C)(OCc2ccccc2)C(=O)NC(C)(C)CN=CC(C)(OCc2ccccc2)C(=O)N1,CI,0
CC(C1CCC2C3CCC4CC5(CCC4(C)C3CCC21C)c1ccccc1C(=O)N5C)N(C)C,CI,0
CC(C)OP(=O)(OC(C)C)C(=NNc1ccc([N+](=O)[O-])cc1)NN,CI,0
CC(C)OP(=O)(OC(C)C)C(=NNc1ccccc1[N+](=O)[O-])NCCN=C(NNc1ccccc1[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C,CI,0
COc1cc2c(cc1OC)C1C(COC(=O)Nc3ccccc3)CN1CC2,CI,0
CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Cl)cc1,CI,0
CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1ccccc1O,CI,0
CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1ccc(O)cc1,CI,0
CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1,CI,0
CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1cccc(O)c1,CI,0
COc1cc(C=C2C(=O)N(C(=O)Cc3ccccc3)N=C2C)ccc1O,CI,0
CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1ccco1,CI,0
CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1c(O)ccc2ccccc12,CI,0
COc1ccccc1C=C1C(=O)N(C(=O)Cc2ccccc2)N=C1C,CI,0
CSc1ccc(NC(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C(=O)O)cc1,CI,0
CC(=O)OC1CC2(c3ccccc3)C(=O)c3ccccc3N2O1,CI,0
O=C1c2ccccc2N2OC3(N4CCCC4)CCCC3C12c1ccccc1,CI,0
Cc1ccc(-c2cc(=S)n(-c3ccccc3)c3[nH]c(=S)n(-c4ccccc4)c(=N)c23)cc1,CI,0
O=C(c1ccccc1)c1nnn(Cc2ccccc2Cn2nnc(C(=O)c3ccccc3)c2C(=O)c2ccccc2)c1C(=O)c1ccccc1,CI,0
c1ccc(Cn2cc[n+]3c2[Au-][n+]2ccn(Cc4ccccc4)c2[Au-][n+]2ccn(Cc4ccccc4)c2[Au-]3)cc1,CI,0
COc1c(C)c2c(c3c1c(=O)c1ccccc1n3C)C=CC(C)(C)O2,CI,0
Cl.N=C(N)SCCc1cn2ccccc2n1,CI,0
CS(=O)(=O)O.Cc1nc2c(C)c3c([nH]c4ccc(Cl)cc43)c(C)c2c(O)c1C,CI,0
Cc1cc([N+](=O)[O-])c(C)c2c1[nH]c1ccc(O)cc12,CI,0
C1=C2CCC(Sc3ccccc3)C2C2(CCCCC1)OCCO2,CI,0
CN(C)CCN(C)C(=O)C1CCCN1C(=O)OCc1ccccc1,CI,0
CCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N,CI,0
Cc1ccc2oc(=O)c(-c3ccccc3)nc2c1,CI,0
COC(=O)c1ccc(OCc2ccc3oc(=O)c(-c4ccccc4)nc3c2)cc1,CI,0
COc1ccc(CNc2cnc3cc(N)ccc3n2)cc1OC,CI,0
Nc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)cnc2c1,CI,0
COc1ccc(CSc2nc3ccccc3nc2-c2cccs2)cc1,CI,0
COc1cc2c(oc(=O)c3c4occc4cc(OC)c23)c2cccc(OCc3ccccc3)c12,CI,0
COc1cc2c(oc(=O)c3cc4ccoc4c(OC)c32)c2cccc(O)c12,CI,0
CC1=CC(=O)OC2(C1)CC1CCC2CN1C.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,CI,0
CCOC(=O)C12CCC(=O)C=C1C(C)C(=O)CC2,CI,0
COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)OC)c2)cc1S(=O)(=O)OC,CI,0
CCc1nnc(-c2nsc3ccccc23)s1,CI,0
COc1ccc(Nc2nnc(-c3nsc4ccccc34)s2)cc1,CI,0
O=C(O)CCC(=NNc1nsc2ccccc12)c1ccc(Cl)cc1,CI,0
O=C1CCC(c2ccccc2)=NN1c1nsc2ccccc12,CI,0
O=C1CCC(c2ccc(Cl)cc2)=NN1c1nsc2ccccc12,CI,0
Nc1ncnc2c1ncn2C1CC(OC2CCCCO2)C(CO)O1,CI,0
CC(C)(C)[Si](OC1CC(n2cnc3c(N)ncnc32)OC1CO)(c1ccccc1)c1ccccc1,CI,0
COc1cc2c(cc1OC)C(C1(O)CCCCC1)NCC2,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccccc2O)n1,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccc(O)cc2)n1,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2cccc(O)c2)n1,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccc([N+](=O)[O-])cc2)n1,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2cccc([N+](=O)[O-])c2)n1,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccc(Cl)cc2)n1,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2cccc(Cl)c2)n1,CI,0
COc1ccc(C2C(=O)C(Cl)N2Nc2nc(C)cc(O)n2)cc1OC,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccco2)n1,CI,0
O=C1C(Cl)N(c2ccc(Cl)cc2Cl)C1c1c[nH]c2ccccc12,CI,0
O=C(NN1C(=O)C(Cl)C1c1ccccc1O)c1ccccc1O,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccccc2O)cc1,CI,0
O=C(NN1C(=O)C(Cl)C1c1ccc([N+](=O)[O-])cc1)c1ccccc1O,CI,0
O=C(NN1C(=O)C(Cl)C1c1cccc([N+](=O)[O-])c1)c1ccccc1O,CI,0
O=C(NN1C(=O)C(Cl)C1c1ccccc1Cl)c1ccccc1O,CI,0
O=C(NN1C(=O)C(Cl)C1c1cccc(Cl)c1)c1ccccc1O,CI,0
O=C(NN1C(=O)C(Cl)C1c1ccc(O)cc1)c1ccccc1O,CI,0
O=C(NN1C(=O)C(Cl)C1c1cccc(O)c1)c1ccccc1O,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccccc2O)ccc1O,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccccc2O)cc1OC,CI,0
O=C(OCc1ccccc1C1CSCSC1)c1cc(C(=O)OCc2ccccc2C2CSCSC2)c(C(=O)OCc2ccccc2C2CSCSC2)cc1C(=O)OCc1ccccc1C1CSCSC1,CI,0
Cn1c(=N)c2cnn(-c3ccccc3)c2n(C)c1=O,CI,0
COc1ccc(Nc2cnc3cc(N)ccc3n2)cc1OC,CI,0
N#Cc1ccc(Nc2cnc3cc(N)ccc3n2)cc1,CI,0
Nc1ccc2ncc(Nc3ccc(Cl)c(Cl)c3)nc2c1,CI,0
COc1cc(Cc2ccc3c(c2C#N)N(C)c2ccccc2S3)cc(OC)c1OC,CI,0
CC1(C)OC(=S)N(c2ccccc2)C12C=Cc1cc3ccccc3nc1S2,CI,0
Clc1ncnc2c1ncn2CCCCCCCCCCCCn1cnc2c(Cl)ncnc21,CI,0
Cc1cn(CC2OCC(CO)O2)c(=O)[nH]c1=O,CI,0
Cc1ccc(-n2cc(C(=N)NO)c3ccccc3c2=O)cc1,CI,0
CC1CCc2c(sc3ncnc(NN=Cc4ccc(Cl)cc4)c23)C1,CI,0
COc1cccc2c(NCCC[N+](C)(C)O)c3c([N+](=O)[O-])ccc(OC)c3nc12.Cl.[Cl-],CI,0
CC(C)OP(=O)(OC(C)C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(P(=O)(OC(C)C)OC(C)C)=NN1c1ccc([N+](=O)[O-])cc1,CI,0
COc1cc(C(C#N)NNc2nc(C)cc(O)n2)cc(OC)c1OC,CI,0
NC(=O)C1(c2ccccc2)Nc2ccccc2S1,CI,0
NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CA,1
[O-]c1on[n+]2c1c(Nc1ccc(Cl)cc1)nc1ccccc12,CI,0
OC1CCSc2ccccc21,CI,0
COc1c2c(c3ccccc3c1O)C1C=CC2C1,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Br)c(O)c(C(=O)O)c5)c5cc(Br)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CA,1
CN(C)c1nc(N(C)C)nc(N(C)CN(C)c2nc(N(C)C)nc(N(C)C)n2)n1,CI,0
Nc1ccccc1S[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl)C(=O)N1CCN(c2ccccc2)CC1,CI,0
CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl)C(=O)Nc1c(Cl)cccc1Cl,CI,0
CC(C)(Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1)C(=O)Nc1c(Cl)cccc1Cl,CI,0
N#CNC(=NCCc1c[nH]c2ccccc12)NCc1ccccc1,CI,0
CC1(C)OC2C(CO)OC(N=C(NC#N)Oc3ccccc3)C2O1,CI,0
COC(=O)c1ccccc1NCc1cc(O)ccc1O,CI,0
O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1ccc(Cl)cc1,CI,0
C=C1CC2OC2(C(=O)OC2CCC3C4CCC5=CC(=O)CCC5(C)C4CCC23C)C1=O,CI,0
COC(=O)C1C(C(=O)OC)C12C=Cc1ccccc1C=C2,CI,0
CC(=O)Nc1ccc(S(=O)c2ccc(NC(C)=O)cc2)cc1,CI,0
N=c1[nH]nc(Sc2ccc(N)cc2)s1,CI,0
CN1N=C2NCCNC3=NN(C)C(=NCCN=C1S2)S3,CI,0
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCC,CI,0
CC(=O)OC1CC2(C)OC(Cc3ccccc32)O1,CI,0
C=CC1(C)CCC(C(C)C(=O)C(C=C(C)C)OC(C)=O)C12C(=O)Oc1ccccc1C2=O,CI,0
CCN1C(=O)N(C)C(O)c2c1nc1ccccn1c2=O,CI,0
CC(=O)C1=NN(c2ccccc2)C2(S1)SC(c1ccccc1)(c1ccccc1)c1ccccc12,CI,0
O=C(CC(CC(=O)Oc1c(Br)cc(Br)cc1C(=O)O)C(=O)Oc1c(Br)cc(Br)cc1C(=O)O)Oc1c(Br)cc(Br)cc1C(=O)O,CI,0
NC(CCCC(N)P(=O)(O)c1ccccc1)P(=O)(O)c1ccccc1,CI,0
NC(=O)c1ccc2cc(O)c(O)cc2c1,CI,0
CC(C)NC1CCCCC2c3ccccc3C12O,CI,0
CC(=O)OC12C(=NO)CCCCCC1c1ccccc12,CI,0
c1ccc2c(c1)C1CCCCCC21N1CCOCC1,CI,0
CC(C)(C)C(=O)OC12C(=NO)CCCCCC1c1ccccc12,CI,0
CC(C)NC1CCCCC2c3cc(F)ccc3C12O.Cl,CM,1
O=C1c2ccccc2CCCCCCCCCCC12OCCCO2,CI,0
CC1(c2cccc(C3CCC4(C=CC3=O)OCCO4)c2)OCCO1,CI,0
OC12c3ccccc3C1CCCCCC21OCCCO1,CI,0
Cc1ccc(C)c2c1C1CCCCC3(OCCCO3)C21O,CI,0
CC1(c2cccc3c2C2(O)C=CC4(CCC32)OCCO4)OCCO1,CM,1
O=S1(=O)c2ncn(COCCO)c2N=C2NC(c3ccccc3)=[O+][Ag-][NH+]21,CI,0
N#CC(=C(S)Nc1ccccc1)c1nc2ccccc2[nH]1,CI,0
O=C1OC2C=CC1C1(CCOC1=O)C2,CI,0
COc1cc(OC)cc(C(=O)CC(=O)c2cc(OC)cc(OC)c2)c1,CI,0
COC(=O)NC(C(=O)NC(OCc1ccccc1)C1COC(C)(C)O1)C(C)O[Si](C)(C)C(C)(C)C,CI,0
Nc1ncnc2c1ncn2C1C(O)C(CO)C1CO,CI,0
Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)CCCn1ncnc1[N+](=O)[O-],CI,0
Cn1c2ccccc2c2ccc3c(c21)C(=O)C(c1ccccc1)=CC3=O,CI,0
O=S([O-])(O)=[OH+].O[Ru+2]12345(O)(O)C6=C1C2=C3C4=C65,CI,0
CC1(O)CC2C(CC1SCCO)C2(C)C,CI,0
CC12CC3C(CC1SCC(=O)O2)C3(C)C,CI,0
O=C(O)CCc1cccc2c1oc1c(CCC(=O)O)cccc12,CI,0
COP12(OC)NC(=O)OC1(C(F)(F)F)c1ccccc1O2,CI,0
CC1(C)OP23(NC(=O)OC2(C(F)(F)F)c2ccccc2O3)OC1(C)C,CI,0
CC1CC(O)C2(O)C13CC(OC(=O)C3O)C(C)(O)C21COC1=O,CI,0
CC(=O)[O-].Clc1ccc2c(c1)C=[N+]1CC[N+]3=Cc4cc(Cl)ccc4[OH+][Mn+3]13[OH+]2,CI,0
C[N+](C)(C)C.O=S(O)(=[OH+])c1cc(N=Nc2cc(S(=O)(O)=[OH+])c3cccnc3c2O[Zn]Cl)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(O)=[OH+])c3cccnc3c2O[Zn]Cl)cc1S(=O)(O)=[OH+],CA,1
Cc1cccc2c1Oc1ncccc1C2NC(=O)CN(C)C,CI,0
Cc1cccc2c1Oc1cc(Cl)ccc1C2NC(=O)CCN1CCOCC1.Cl,CI,0
CCN(CC)CCC(=O)NC1c2ccc(Cl)cc2Oc2c(C)cccc21,CI,0
CCOC(=O)c1c(SCCN2CCOCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
CCOC(=O)c1c(N)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
CN1CCN(C(=S)N(C)C(=O)c2ccco2)CC1,CI,0
O=C(c1cccs1)N(C(=S)N1CCN(c2ccccc2)CC1)c1ccccc1,CI,0
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1.[NaH],CI,0
Nc1ccc2nc(NCc3ccc(F)cc3)cnc2c1,CI,0
Cc1cn(CC2OC(CO)C(CO)O2)c(=O)[nH]c1=O,CI,0
COc1ccc(C2CC(=O)N2)cc1,CI,0
COC(=O)C1CCCCCC2C(CO)=C(C)C(=O)C12,CI,0
COC(=O)C1CCCC2C(CO)=C(C)C(=O)C12,CI,0
CCN(CC)C(=O)CCn1cc(F)c(=O)[nH]c1=O,CI,0
CN(CCN(C)C(=O)CCn1ccc(=O)[nH]c1=O)C(=O)CCn1ccc(=O)[nH]c1=O,CI,0
CN(CCN(C)C(=O)CCn1cc(F)c(=O)[nH]c1=O)C(=O)CCn1cc(F)c(=O)[nH]c1=O,CI,0
Cc1ccc(S(=O)(=O)OC(c2ccc(Cl)cc2Cl)C2OC(=O)c3ccccc32)cc1,CI,0
CCCCN=C(OC1C=CCCC1)SC,CI,0
C=CC1CCC[N+]1(CC(=O)OCC)Cc1ccccc1.[Br-],CI,0
CC(=O)Oc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O,CI,0
COc1ccc(N2C(=O)CC(c3c[nH]c4ncccc34)C2=O)cc1.Cl,CI,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(Cc3ccccc3)c21,CI,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c21,CI,0
Cl.O=C1CCCCC1CN1CCOCC1,CI,0
COc1ccc2c(c1OC)C(=O)N1C2=Cc2c(cc3c(c2OC)OCO3)CC1N(C)C,CI,0
O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(O)cc1,CI,0
O=C(CNc1ccccc1Cl)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C(CNc1cccc(Cl)c1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C(CNc1ccc(Cl)cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C(CNc1ccccc1[N+](=O)[O-])Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C(CNc1cccc([N+](=O)[O-])c1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C(CNc1ccc([N+](=O)[O-])cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
COc1cccc(NCC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1,CI,0
COc1ccc(NCC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1,CI,0
O=C(CNc1ccc(Cl)cc1Cl)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
CC1=NC(=Cc2ccccc2O)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
CC1=NC(=Cc2ccc(O)cc2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
COc1cc(C=C2N=C(C)N(n3c(-c4ccccc4)nc4ccccc4c3=O)C2=O)cc(OC)c1OC,CI,0
CC1=NC(=Cc2cccc(Cl)c2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
COc1cccc(C=C2N=C(C)N(n3c(-c4ccccc4)nc4ccccc4c3=O)C2=O)c1,CI,0
COc1cccc(C=C2N=C(c3ccccc3)N(n3c(-c4ccccc4)nc4ccccc4c3=O)C2=O)c1,CI,0
O=C1C(=Cc2cccc(O)c2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
COc1ccccc1C=C1Sc2scc(CC(=O)Nc3ccccc3)[n+]2C1=O.[Br-],CI,0
C=C1CC(C#N)(C#N)C2C1CC1CCCC12.C=C1CC(C#N)(C#N)C2CC3CCCC3C12,CI,0
CC1=CC(=O)C(=CN2CCNC2=S)C(=O)O1,CI,0
COc1cc(C=C2NC(=O)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)ccc1O,CI,0
C=CCOC(=O)Cn1cnc2c(N)ncnc21,CI,0
Cc1[nH]c(=N)sc1C(=O)Nc1nnc[nH]1,CI,0
Cc1ccc(S(=O)(=O)NNC(=O)c2cc(C(=O)NNS(=O)(=O)c3ccc(C)cc3)c(C)nc2C)cc1,CI,0
O=C1Nc2ccccc2C(=O)C1=CNC(=S)NCc1ccccc1,CI,0
O=C1C(=CNC(=S)c2ccccc2)C(=O)c2ccccc21,CI,0
NC(=O)C(=O)C(c1ccccc1)S(=O)(=O)Cc1ccccc1,CI,0
Cc1cn(C2CC(O)C(COC(=O)CCCCCCCCCCN=[N+]=[N-])O2)c(=O)[nH]c1=O,CI,0
Cc1ccsc1C(=O)C(CC(=O)c1cccs1)c1ccsc1,CI,0
Cc1ccc2n(c1)cc(-c1ccc(C=NNC(=N)NN=Cc3ccc(-c4cn5cc(C)ccc5[n+]4C)cc3)cc1)[n+]2C.Cl.[Cl-],CM,1
C[n+]1c(-c2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(-c4cn5ccsc5[n+]4C)cc3)cc2)cn2ccsc21.[Br-],CM,1
CN1C2C=CC(=O)C1C(C#N)C2,CI,0
CC1(C)C2CCC(=O)C1CC2,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCCCOc3ccc(C=CC(=O)c4ccc(OC)cc4)cc3)cc2)cc1,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCCCOc3ccc(C=CC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC,CI,0
COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc(OC)c1OC,CI,0
CN1CCN(Cc2ccccc2)CC1CC#N,CI,0
Cc1ccc(N=C2SC(c3ccc(C)cc3)(c3ccc(C)cc3)c3ccccc32)cc1,CI,0
O=[N+]([O-])c1cc(Cl)ccc1Sc1ccccc1,CI,0
C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(Cc2ccc(O)cc2)C(=O)[OH+]1.[Cl-],CI,0
C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(CO)C(=O)[OH+]1.[Cl-],CI,0
CC(=O)Oc1ccc2c(c1)[nH]c1c3ccc(OC(C)=O)cc3oc(=O)c21,CI,0
CC(=O)N1C(Nc2ccccc2)CCN1c1ccccc1,CI,0
CCOC1CCN(C(=O)c2ccccc2)O1,CI,0
CCOC1CC(C)N(C(=O)c2ccccc2)O1,CI,0
CC(=O)Nc1ccc(C=C2NC(=S)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)cc1,CI,0
C=CCn1c(=O)c2ccccc2[n+]2c(-c3cccc([N+](=O)[O-])c3)csc12.[Cl-],CI,0
CCOc1ccc(NC(=S)NC=C(C(C)=O)C(=O)Nc2ccccc2C)cc1,CI,0
NC(=O)[N+](=CC(=S)Nc1ccccc1Cl)C(N)=O,CI,0
CCOC(=O)C(=CNC(N)=S)C(=O)c1ccccc1,CI,0
CC(=O)C(=CNC(=S)c1ccncc1)C(=O)Nc1ccccc1C,CI,0
N#CC(C#N)=CNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CI,0
CC(=O)C(=CN1C(=O)CC(=O)NC1=S)C(=O)Nc1ccccc1C,CI,0
N#CC(C#N)=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21,CI,0
NS(=O)(=O)c1ccc(NC(=S)NC=C2C(=O)c3ccccc3C2=O)cc1,CI,0
COc1nc(N)c(N=CC(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)c(=O)n1C,CI,0
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(P(=O)(O)O)c5cccc(P(=O)(O)O)c5c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(P(=O)(O)O)c3cccc(P(=O)(O)O)c3c2)n(C)c1.[NaH],CA,1
CC(C)=CC(=O)N1CC(C)Cn2c(=S)[nH]c3cccc1c32,CI,0
COc1cc(CC(C)=O)cc(OC)c1,CI,0
COc1cc(CC(C)NC(C)c2ccccc2)cc(OC)c1,CI,0
COC12C=CC(C=C1C#N)CC2.COC12C=CC(CC1)CC2=O,CI,0
COC12C=CC(CC1)C(C)(C)C2O,CI,0
O=S(=O)(c1ccccc1)C1(CCC2OCCO2)C=CC2(CC1)OCCO2,CI,0
COc1cccc(C=C2SC(=S)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)c1O,CI,0
NC(=O)C(=CNC(N)=S)C(N)=O,CI,0
Cc1c(CCN=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n2c([nH]c3ccccc32)c1C#N,CI,0
CSc1nc(C)c(CCOC(C)=O)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n1,CI,0
COC(C)(C)C1=CCC(C)CC1,CI,0
Cc1ccc(C(=O)C=C(O)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
COc1c(F)c(F)c(C(=O)C=C2Nc3ccccc3NC2=O)c(F)c1F,CI,0
NC(=S)SC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12,CI,0
C=CCNC(=O)NC(=O)CSC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12,CI,0
O=C1CSc2ccnc(=O)n21,CI,0
N#CC(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(N)=O,CI,0
CC(=O)OCC1OC(n2c(=S)[nH]c(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CSc1nc(=O)c(C#N)c(-c2ccccc2)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC1(C)CC(=O)C(=CNC(=S)NCCc2ccccc2)C(=O)C1,CI,0
COc1ccc(-n2cnn3c(=O)c4cn[nH]c4nc23)cc1,CI,0
O=[N+]([O-])c1nccn1CCCNc1c2ccccc2[n+](O)c2ccccc12.[Cl-],CI,0
c1ccc(C2=C3c4ccccc4C4=[N+]3[Zn-2]35[N+]6=C(C(c7ccccc7)=C7c8ccccc8C(=C4c4ccccc4)[NH+]73)c3ccccc3C6=C(c3ccccc3)C3=c4ccccc4=C2[NH+]35)cc1,CI,0
COc1ccc(OC)c2c1-c1nnnn1CCC2(C)C,CM,1
N#Cc1nc(-c2ccc(-c3nc(C#N)c(N)o3)cc2)oc1N,CI,0
COC1(C)CCC(OS(C)(=O)=O)CO1,CI,0
COC(=O)C(O)=CC(=O)c1ccc(OC)cc1.[NaH],CI,0
CCOC(=O)Cc1csc2[n+]1C(=O)C(=Cc1ccc(OC)c(OC)c1)S2.[Cl-],CI,0
c1cncc(-c2ncc3cccnc3n2)c1,CI,0
N#Cc1cc(C#N)c(N)nc1N,CI,0
c1ccc(CSC(SCc2ccccc2)c2ccc3c(c2)OCO3)cc1,CI,0
CC(=O)CC(O)(C(F)(F)Cl)C(F)(Cl)Cl,CI,0
COc1cc(CNC(=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)NCc2ccc(O)c(OC)c2)ccc1O,CI,0
CC(=O)CC1(O)C(=O)Nc2ccccc21,CI,0
OC(CC(CC(O)(C(F)(F)F)C(F)(F)F)=NN=C(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F,CI,0
O=C1CC(C(O)(C(F)(F)F)C(F)(F)Cl)CCC1C(O)(C(F)(F)F)C(F)(F)Cl,CI,0
O=C1C(C(O)(C(F)(F)Cl)C(F)(F)Cl)CCC1C(O)(C(F)(F)Cl)C(F)(F)Cl,CI,0
OC(NN=C1CCCC1)(C(F)(F)Cl)C(F)(F)Cl,CI,0
CCOC(CCNCC(OCC)OCC)OCC,CI,0
c1ccc2c(Nc3ncco3)cccc2c1,CI,0
CC1=CC(=NO)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1,CI,0
OC(Cc1cc(CC(O)(C(F)(F)F)C(F)(F)F)nc(CC(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F,CI,0
CNC(=O)OC(COC)CN1CCN(c2ccccc2C)CC1,CI,0
I.N=C(N)NCCN1CCCCCc2ccccc21,CI,0
CC(=O)OC1C(=O)OC2COC(c3ccccc3)OC21,CI,0
CC1(C)OC2OC3C(I)CN(C(=O)OCc4ccccc4)C3C2O1,CI,0
O=C(O)C1C(OCc2ccccc2)C(OCc2ccccc2)CN1C(=O)OCc1ccccc1,CI,0
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(O)C1C(O)CC(=O)OC(C)(C)C,CI,0
CN(N=Cc1cccc2cccnc12)c1ccc(Cl)cc1[N+](=O)[O-],CI,0
CCOC(=O)C(=Cn1c(=S)[nH]c2cc(C)ccc21)C(=O)OCC,CI,0
Cc1ccc2c(c1)[nH]c(=S)n2C=C(C#N)C#N,CI,0
NC(=O)C(=CNC(=S)c1cccnc1)C(N)=O,CI,0
CCCCCCCCCCCCCCCCCCNC(=S)NC=C(C(N)=O)C(N)=O,CI,0
Cc1ccc(NC(=S)NC=C(C(N)=O)C(N)=O)c(C)c1,CI,0
O=C(NC1CCCCC1)C(=Cc1ccccc1)NC(=O)c1ccccc1,CI,0
O=C(NCc1ccccc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1,CI,0
O=C(O)CCCCCCCc1cccc(OCCOCCO)c1,CI,0
COc1cccc(C=C2Sc3sc(C(C)=O)c(C)[n+]3C2=O)c1O.[Cl-],CM,1
CC(=O)Nc1ccc(C=C2SC(=S)N(C=C(C#N)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1,CI,0
COC(=O)C(C#N)=CNC(=S)NNC(C)=O,CI,0
NC(=S)NC=Cc1nc2ccccc2nc1O,CI,0
CC(=S)NC=Cc1nc2ccccc2nc1O,CI,0
CC(=O)NNC(=S)NC=Cc1nc2ccccc2nc1O,CI,0
Cc1ccc(S(=O)(=O)C(C#N)=CN2CCNC2=S)cc1,CI,0
Oc1nc2ccccc2nc1C=CNC(=S)Nc1cc(Cl)ccc1Cl,CI,0
O=C(CC(=O)Nc1ccccc1)NN=Cc1cc(N=Nc2ccc(Br)cc2)ccc1O,CI,0
CCOC(=O)C(C#N)=Cc1ccc(N(CCC(=O)O)CCC(=O)O)c(I)c1,CM,1
CC(=NNC(=O)C(C#N)=Cc1ccc(N(CCC#N)CCC#N)cc1)c1ccccc1,CI,0
COc1cc(C=C2SC(=S)N(C=C3C(=O)C=C(C)OC3=O)C2=O)cc(OC)c1OC,CI,0
COc1ccccc1NC(=S)NC=C1C(=O)NC(=O)NC1=O,CI,0
Cc1ccc2c(c1)[nH]c(=S)n2C=C(c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)cc1,CI,0
COc1cc(C=C2SC(=S)N(C=C(C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc(OC)c1OC,CI,0
Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)Nc2ccc(C)cc2C)cc1,CI,0
COc1ccc(CCNC(=S)NC=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1OC,CI,0
N#CC(=CNC(=S)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc2ccccc2c1,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(N)=S,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1CCNC1=S,CI,0
N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccc2ccccc2c1,CI,0
COc1ccccc1NC(=O)C(=CC1CC(=O)NC1=S)C(C)=O,CI,0
COc1ccccc1NC(=O)C(=CNC(=S)c1ccncc1)C(C)=O,CI,0
O=C1CN(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)C(=S)N1,CI,0
N#CC(=CNC(N)=S)C(=O)c1ccc2ccccc2c1,CI,0
CC(=O)C(=CNC(N)=S)C(=O)Nc1ccccc1,CI,0
N#CC(=CNC(=S)NN=C1C(=O)Nc2ccccc21)c1nc2ccccc2s1,CI,0
CC(=O)C(=CNC(=S)c1ccncc1)C(=O)Nc1ccccc1,CI,0
N#CC(=Cn1c(=S)sc2ccccc21)c1nc2ccccc2s1,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)Nc1ccc(Cl)cc1Cl,CI,0
CC(=O)NNC(=S)NC=C(C#N)c1nc2ccccc2s1,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)c1cccnc1,CI,0
COc1ccc(NC(=O)C(=CN2C(=O)CC(=O)NC2=S)C(C)=O)cc1,CI,0
C=C1C(=O)OC2C1CCC(C)=C1C(=O)C=C(C)C12,CI,0
CCOC(=O)C(NC(C)=O)C(c1ccccc1)[Sn](Cl)(c1ccccc1)c1ccccc1,CI,0
N#CC(=Cn1ccc(=O)[nH]c1=S)c1nc2ccccc2s1,CI,0
NC(=S)C(=S)NC=Cc1nc2ccccc2nc1O,CI,0
O=C(OCc1ccccc1)C(c1ccccc1)=[N+]1C(=S)Nc2ccc([N+](=O)[O-])cc21,CI,0
CC(=O)C(=CNC(=S)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1,CI,0
CC(=O)NNC(=S)NC=C(C(C)=O)C(=O)Nc1ccc(Cl)cc1,CI,0
COc1ccc(C=C2SC(=S)N(C=C(C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc1OC,CI,0
CCOC(=O)C(=Cc1ccc(CO)o1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(=Cc1c(C)[nH]c2ccccc12)P(=O)(OCC)OCC,CM,1
CCCCOP(=O)(OCCCC)C(C#N)=Cc1ccc(C)o1,CI,0
CCOC(=O)C(C#N)=Cc1ccnc2ccccc12,CI,0
COc1ccc(C2CC(=O)Oc3ccccc3O2)cc1,CI,0
Nc1cc(Cl)ccc1N1C(=O)C=CC1=O,CI,0
[Cl-].c1cc(C[S+]2CCCC2)sc1C[S+]1CCCC1,CI,0
N=C(CCSCCSCCC(=N)NO)NO,CI,0
CC1=C(C)C1[N+](=O)[O-],CI,0
CC1(C)C(C#N)C1C1=C(N2CCOCC2)C2(C)C(CCC2OC(=O)c2ccccc2)C1,CI,0
CCOP1(=O)CC(C)=C(Cl)C(OC)C1,CI,0
CCOP1(=O)CC(C)=C(Cl)C(O)C1,CI,0
CON=C(C(=O)OC(=NC1CCCCC1)NC1CCCCC1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1,CI,0
COc1cc(CC(C)NC(C)=O)cc(OC)c1,CI,0
Cc1cc(S(=O)(=O)Nc2nncn2-c2ccc(Cl)cc2)c(S)cc1Cl,CI,0
CSC1=NS(=O)(=O)c2cc(C(=O)NN(C)C(=O)c3cc4c(cc3Cl)SC(SC)=NS4(=O)=O)c(Cl)cc2S1,CI,0
Cc1cc(S(=O)(=O)N=C(NN)NCC(=O)NN)c(S)cc1Cl,CI,0
COC(=O)CSc1[nH]c2nc(C)nc(Nc3ccccc3)c2c1C#N,CI,0
CC(=O)OC1C(CN2CCOC2=O)OC(n2cc(C)c(=O)[nH]c2=O)C1OC(C)=O,CI,0
CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl)C(=O)N1CCN(CCO)CC1,CI,0
C#CC(C)(C)Oc1cc(OC)c2c(=O)c3ccccc3n(C)c2c1,CI,0
COC(=O)c1c2c(c3c(c1C(=O)OC)c1ccccc1n3C)C(=O)C=CC2=O,CI,0
C=C1OC(=O)C2(C(C=CC)C=CC(=O)C2O)C1O,CI,0
COC(=O)C(=O)c1c2ccccc2n2ccc3c4ccccc4[nH]c3c12,CI,0
c1ccc2c(c1)ccn2CCc1c[nH]c2ccccc12,CI,0
c1ccc2c(c1)cc1c3[nH]c4ccccc4c3ccn21,CI,0
c1ccc2c(c1)CCN2CCc1c[nH]c2ccccc12,CI,0
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12,CI,0
O=C(NN=C1CCc2ccccc2C1)NN=C1CCc2ccccc2C1,CI,0
O=C1OC(C(O)CO)C(C(O)CO)OC1=O,CI,0
CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,CI,0
CC1CCC2(C(=O)O)CCC3(C)C(=C2C1C)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13C,CI,0
CN(C)C=C(C(=O)c1ccccc1)n1nc(-c2ccccc2)cc1-c1ccccc1,CI,0
COC(=O)C1Cc2cc(O)c(O)cc2C2(CCN(C)CC2)O1.Cc1ccc(S(=O)(=O)O)cc1,CM,1
CCN(CC)CC.O=P(O)(OCCc1ccccc1)Oc1ccccc1O,CI,0
CC(C)C(NC(=O)Oc1ccccc1)C(=O)NC1c2c(Br)sc(Br)c2C(=O)C1O,CI,0
COc1c(C)c2c(c(=O)c3c(C)cccc3n2C)c2c1c(=O)c1c(C)cccc1n2C,CI,0
Cc1cccc2c1c(=O)c1c(O)c3c(cc1n2C)OC(C)(C)C=C3,CI,0
COc1cc(C=Cc2sc3ccccc3[n+]2C)ccc1N(C)C.[I-],CI,0
CCCCCCCCCCCCCCCCNC(=O)C(O)=CC(=O)c1ccc(C)cc1,CI,0
CCc1cc2c(oc3cc(C)ccc32)c(O)n1,CI,0
CC#CCCCC1(C)CCCNC1=S,CI,0
CC(C)(C)OC(=O)N1CCCC1=O,CI,0
COc1nc2ccc(CNc3ccc(C(=O)O)cc3)cc2nc1OC,CI,0
COc1cc(OCc2ccc3nc(OC)c(OC)nc3c2)cc(OC)c1OC,CI,0
CCCCCCCCCCCCC(Br)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
C1CCN(C2=[S+][Ru-2]3([S+]=C(N4CCCCC4)[SH+]3)[SH+]2)CC1,CI,0
COc1cc2c(cc1OC)C(=O)C(=Cc1ccc(N(C)C)cc1)CC2,CI,0
CCOC(=O)C1C(=O)CC1(C)C,CI,0
COC(=O)C1(CCC(=O)N(C)c2ccccc2)NNC2C(=O)N(c3ccccc3)C(=O)C21,CI,0
FC(F)C(F)(F)N1c2ccccc2Sc2ccccc21,CI,0
CON(C)c1nc(N(C)OC)nc(N(C)OC)n1,CI,0
CC(C)(CCCCC(C)(C)C1NC(=O)N1)C1NC(=O)N1,CI,0
OCC1COc2cc(Cl)c(Cl)cc2O1,CI,0
COc1cccc(C=[N+]2[N-]C(c3ccncc3)=[O+][Cu+2]23(O)(O)([OH+]C(C)=O)[n+]2cccc4ccc5ccc[n+]3c5c42)c1,CI,0
CN(C)C(C1=C(O)C(c2ccccc2)N(c2ccccc2)C1=O)N1CCOCC1,CI,0
CCC(C(=O)NC1CN2CCC1CC2)c1ccccc1,CI,0
O=C(NC1CN2CCC1CC2)C(c1ccc(F)cc1)c1ccc(F)cc1,CI,0
O=C(NCCCCCCCN1CCCCCC1)C1c2ccccc2-c2ccccc21,CI,0
N.O=CC(O)C(O)C(O)C(O)COP(=O)(O)Cc1ccccc1,CI,0
O=C1c2ccccc2-c2nnc(-c3ccccc3)cc21,CI,0
COc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1,CI,0
O=C1c2ccccc2-c2nnc(-c3ccc(Cl)cc3)cc21,CI,0
CCC(=NNC(N)=S)C(C)=NO,CI,0
O=[N+]([O-])C1=C[C-]2C(=[N+]([O-])C3(CCCCC3)[N+]2=O)C=C1,CI,0
ON=C1CCCc2nonc21,CI,0
NN=C1C(=NO)CCc2nonc21,CI,0
NCCCc1nonc1C(=O)O,CI,0
Cc1noc(C)c1N=Nc1ccc2nonc2c1N,CI,0
c1ccc(-n2nc3ccc4nonc4c3n2)cc1,CI,0
CC(C)C(C=O)C(O)(C(F)(F)F)C(F)(F)F,CI,0
CC1=CC(=NN(C)C)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1,CI,0
O=c1[nH]c(=S)[nH]n1C(=S)n1[nH]c(=S)[nH]c1=O,CI,0
CSc1n(N)cn[n+]1CC(=O)OC(C)(C)C.[I-],CI,0
CC(C)=CC(=O)OC1CC(C)(C)CC2C3=CCC4C56CCC(O)(OC5)C(C)(C)C6CCC4(C)C3(C)CCC12C(=O)O,CI,0
O=C(OCCNC(=O)N1CC1)OCCNC(=O)N1CC1,CI,0
CSc1c(S(C)=O)c2ccccc2n1C,CI,0
CC(C)=CC(CC(O)(C(F)(F)F)C(F)(F)F)=NO,CI,0
CCOC(=O)C(CC#Cc1ccc(C#CCC(NC(C)=O)C(=O)OCC)cc1)NC(C)=O,CI,0
CSc1nc(C)cc(N(C)c2ccccc2)n1,CI,0
Cc1cc(N(C)c2ccccc2)nc(N(C)c2ccccc2)n1,CI,0
COc1ccc(C(O)CC(O)(C(F)(F)F)C(F)(F)F)cc1,CI,0
CC(C)=NOC(=O)Nc1cccc2c1OCO2,CI,0
CC(C)(NC1=NCCO1)c1ccccc1,CI,0
OC(c1nc2ccccc2s1)(C(F)(F)F)C(F)(F)F,CI,0
COC(=O)C1CN=CN1CCc1ccccc1,CI,0
CCCCCC(CC=NN(C)C)C(O)(C(F)(F)F)C(F)(F)F,CI,0
COc1ccc(N2N=NN(C(C)C)C2=C(Cl)c2nnnn2-c2ccc(OC)cc2)cc1,CI,0
CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2NC(=O)CC1C,CI,0
C=C(Br)CN(CC(=C)Br)C(C)=O,CI,0
Nc1c(Cl)c([N+](=O)[O-])cc2c1OCCCCO2,CI,0
O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CI,0
COC(=O)c1c(C(=O)OC)c2ccccn2c1-c1cc(C)cc2c1C(=O)C=CC2=O,CI,0
COc1ccc2c(ccc3[nH]c4c(C)cnc(NCCCN)c4c32)c1,CI,0
Cc1cnc(NCCCN(C)C)c2c1[nH]c1ccc3ccccc3c12.O=C(O)C=CC(=O)O,CI,0
COc1ccc2ccc3[nH]c4c(C)cnc(NCCCN(C)C)c4c3c2c1.O=C(O)C=CC(=O)O,CI,0
Cc1cc2nc3c(C#N)c(C)c(CCCl)c(Cl)n3c2cc1C,CI,0
Cc1nc2ccc(Cl)cc2c2c1CCS2,CI,0
Cc1nn(-c2ncc(C#N)c(O)n2)c(O)c1CCO,CI,0
CC1=NN(C(=O)CC(=O)NC(=O)C=Cc2ccccc2)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1,CI,0
NC(=O)c1ncn(C2C=CC(CP(=O)(O)O)C2)c1N,CI,0
Nc1ncnc2c1nnn2C1C=CC(CP(=O)(O)O)C1,CI,0
CC(C)(C)NC(=O)CCC1C(C(=O)NC(C)(C)C)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,CI,0
ON=C1COC(C(F)(F)F)(C(F)(F)F)C1,CI,0
C[N+](C)(C)C=NCCCCCCN=C[N+](C)(C)C.[I-],CI,0
CCN(CC)Cc1nc(C2CCC([N+](=O)[O-])O2)no1,CI,0
CN1c2ccccc2C(=O)NC12CCN(Cc1ccccc1)CC2,CI,0
C(#CC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1,CI,0
O=C(CCCN1CCC2(CC1)C(NC1CCCCC1)=NC(=O)N2c1ccccc1)c1ccc(F)cc1,CI,0
CCN(CC)c1ccc(C=C2CCc3ccc([N+](=O)[O-])cc3C2=O)cc1,CI,0
COc1ccc(C(C2=C(O)COC2=O)c2cc3c(cc2O)OCO3)cc1OC,CI,0
Nc1ncccc1N1C(=O)c2ccccc2C1=O,CI,0
Nc1ccc(N)c(N2C(=O)c3ccccc3C2=O)c1,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(O)=C(C#N)c1c(F)c(F)c(F)c(F)c1F,CI,0
Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1NC1OC(CO)C(O)C(O)C1O,CI,0
Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1NC1OCC(O)C(O)C1O,CI,0
Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(N)cc1,CI,0
Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1N,CI,0
O=S1(=O)c2ccccc2N2CCCc3cc(Cl)cc1c32,CI,0
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1cc(Cl)cc2c1NCCC2,CI,0
Cc1cc(C(=O)O)c(C(=O)O)cc1Cc1cc(C(=O)O)c(C(=O)O)cc1C.N,CI,0
CC12C(=O)OCC(c3ccccc3)N1C(=O)N(Cc1ccccc1)C2CO,CI,0
CCC(CCCN)Nc1cc(OC)cc2cccnc12.O=P(O)(O)O,CI,0
CC1CC(=O)c2ccccc2O1,CI,0
CCCCCCCCCCCC1NC(=N)NC(CCCO)=C1C(=O)OC,CI,0
CCCCCCCCCCCCC1NC(=N)N2CCCC2=C1C(=O)OC,CI,0
Cl.O=C1C(CN2CCCC2)CCCC1CN1CCCC1,CI,0
C=C(Br)CN=CN(C)C,CI,0
CC(=O)n1c(=O)n(C2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc21,CI,0
Cc1cc(Cc2c(F)c(F)c(C(c3cc(C)no3)c3c(F)c(F)c(F)c(F)c3F)c(F)c2F)on1,CI,0
CCC(=O)N(c1ccccc1)C(C)CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.Cl,CI,0
NC(=O)ON=C1CCN(Cc2ccccc2)CC1,CI,0
CCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1,CI,0
O=C(OC1CN2CCC1CC2)C(c1ccccc1)C1(O)CCCC1,CI,0
O=C1OCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2,CI,0
CCCCC=CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1,CI,0
CCC#CC(O)(C(=O)OC1C2CCN(CC2)C1C)c1ccccc1,CI,0
CN1CN(c2ccccc2)C2(CCN(CCCN(C)c3ccc(F)cc3)CC2)C1=O.Cl,CI,0
O=C1CC2(CCN(Cc3ccccc3)CC2)C(=O)N1N1CCCCC1,CI,0
C=CCN1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O,CI,0
CN1C(CC(O)c2ccccc2)CCCC1CC(O)(c1ccccc1)c1ccccc1.Cl,CI,0
Cl.NC1CC=C(COC(=O)C(O)(c2ccccc2)C2CC2)CC1,CI,0
C=C(C)C(O)(C(=O)OC1CN2CCC1CC2)c1cccs1,CI,0
C[N+]1(C)CN(c2ccccc2)C2(CCN(CCCC(=O)c3cccs3)CC2)C1=O.O=C([O-])C=CC(=O)O,CI,0
CC(C)OP(=O)(OC(C)C)C(C[Sn](C)(C)Cl)P(=O)(c1ccccc1)c1ccccc1,CI,0
C=C(Cc1ccc(O)cc1)C(=C)Cc1ccc(O)cc1,CI,0
N#Cc1cc2c(cc1C#N)C(Nc1cccc(N)n1)=NC2=Nc1cccc(N)n1,CI,0
CCOC(=O)Oc1cc2c(ccn2C)c2c1c1ccccc1n2C(=O)OCC,CM,1
COc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,CI,0
NC1=C(c2nc(-c3cc4ccccc4oc3=O)cs2)C(c2ccco2)c2c(c3ccccc3oc2=O)O1,CI,0
C1COCCN1.CN(C)c1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1,CI,0
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)C(c3ccccc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)C2c1ccccc1,CI,0
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)C(c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)C2c1ccc(F)cc1,CM,1
O=C(O)C(=O)O.O=C(OCCN1CCOCC1)C1CC(O)CN1C(=O)c1ccc2c(c1)OCO2,CI,0
CCN(CC)C(=O)C1CC(O)CN1C(=O)c1ccc(OC)c(OC)c1,CI,0
O=C1NNC2NC(=O)C3(NN2C1=O)c1ccccc1-c1ccccc13,CI,0
O=C1NN(C2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)C(c2ccccc2)=NC1=Cc1ccc(Cl)cc1,CI,0
O=C1NN(C2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)C(c2ccccc2)=NC1=Cc1ccc(O)cc1,CI,0
C=CCN1C(=O)CC(=O)N(NC2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)C1=S,CI,0
O=C1C(C=Cc2ccc(Cl)cc2)=NNC2N1N=C1NC(=O)C3(NN12)c1ccccc1-c1ccccc13,CI,0
COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCCCCCNC(=N)N)=NO2,CI,0
O=C1NN(c2ccccc2)C(=O)C2C3c4ccccc4C(c4ccccc43)C12,CI,0
CCOC(=O)c1c(C)nc(S)c(C#N)c1-c1ccco1,CI,0
CCc1cc(-c2ccc(OC)cc2)c(C#N)c(=S)n1C1OC(CO)C(O)C(O)C1O,CI,0
O=c1c2ccccc2nc(NN=Cc2ccccc2O)n1-c1ccccc1,CI,0
O=c1c2ccccc2nc(NN=Cc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1,CI,0
O=c1c2ccccc2n2c(=S)[nH]nc2n1-c1ccccc1,CI,0
O=c1c2ccccc2nc(NN=Cc2ccc(Cl)cc2)n1-c1ccccc1,CI,0
O=c1c2ccccc2n2c(-c3ccccc3O)nnc2n1-c1ccccc1,CI,0
CN(C)c1ccc(C=NNc2nc3ccccc3c(=O)n2-c2ccccc2)cc1,CI,0
COc1ccc(C=NNc2nc3ccccc3c(=O)n2-c2ccccc2)c(OCc2ccccc2)c1,CI,0
O=c1c2ccccc2n2c(-c3ccc(O)cc3)nnc2n1-c1ccccc1,CI,0
c1ccc2[nH]c(CSc3nc4ccccc4[nH]3)nc2c1,CI,0
Nc1ccc(C=Cc2ccc(NS(=O)(=O)c3ccnc4c(O)c(C(=O)O)ccc34)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CM,1
OC1c2ccccc2C(O)C2OC12,CI,0
c1ccc([Se]C2CCCCCCCCCCC23SCCCS3)cc1,CI,0
Cc1ccc(S(=O)(=O)OC2C3C=CC2C2CSCC32)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=C2CCCCCCCCCCC2CN(C)C)cc1,CI,0
CSCCCSC1CCCCCCCCCCC1=O,CI,0
Cc1ccc(S(=O)(=O)NN=C2C(C)(C)CC2(C)C)cc1,CI,0
O=C(O)C1CC2C3CCC2C1C3=O,CI,0
Cl.NC1CC2C3CCC2C1C3=O,CI,0
O=[N+]([O-])c1ccc(OC2CC3C4C=CC3C2C4)c([N+](=O)[O-])c1,CI,0
CC(NS(C)(=O)=O)c1ccccc1,CI,0
CN(C)c1ccc(C2SCC(=O)N2NS(=O)(=O)c2cccc(C(=O)O)c2)cc1,CI,0
CC1(C)OC(C(C)(C)O)C(C(C)(C)O)O1,CI,0
CP(C)(=S)P(C)(C)=S,CI,0
O=P1(Cc2ccccc2)c2ccccc2-c2ccccc21,CI,0
O=C(O)c1cc([N+](=O)[O-])c2c(c1)P(=O)(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1O2,CI,0
Cc1ccc2c(c1)P(=O)(O)c1cc(C)ccc1S2(=O)=O,CI,0
CC12CCC(C(Br)C1=O)C2(C)CBr,CI,0
C=CCC12CCC(=O)C=C1CCCC2=O,CI,0
C=CC1(O)CCCC2(C)C(=O)CCC12C,CI,0
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NN)ncnc32)cc1,CI,0
COc1ccc2cc(C(=O)O)ccc2c1OC,CI,0
CCOC(=O)c1ccc(NCc2ccc3nc(OC)c(OC)nc3c2)cc1,CI,0
COc1nc2ccc(COc3ccc(C(=O)O)cc3)cc2nc1OC,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(OCc2ccc3nc(OC)c(OC)nc3c2)cc1)C(=O)OCC,CI,0
O=C(C#CP(=O)(O)c1ccccc1)c1ccccc1,CI,0
COC1(OC)CCCCCCCCC(OC)(OC)CCCCCCCC1,CI,0
COC(=O)CCCC1(CCCC(=O)OC)CCCCCCCCC(CCCC(=O)OC)(CCCC(=O)OC)C(=O)C1=O,CI,0
CC1C2CC3(c4ccccc4)CC(C2=NO)C(=NO)C1C3=CO,CI,0
CC(=O)N(N=C1CC(c2ccccc2)Oc2ccccc21)C(C)=O,CI,0
CC1CC(=Cc2ccc(OC(=O)C(C)(C)C)cc2)C(=O)C(=Cc2ccc(OC(=O)C(C)(C)C)cc2)C1,CI,0
CO.COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1,CI,0
CC(CCC1(C)C(=O)CCC2OC21C)C1CC(c2ccoc2)OC1=O,CI,0
Cc1cc2occ(S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3)c(=O)c2c(=O)o1,CI,0
COC(=O)C(CO)NC(=O)CCC(C)=Cc1ccccc1,CI,0
N=C(N)NCCS(=O)(=O)O,CI,0
Cl.O=C(C=Cc1ccccc1)CCN1CCN(CCC(=O)C=Cc2ccccc2)CC1,CI,0
COc1ccc(-c2c(C#N)c(NC(=S)NC(=O)c3ccccc3)nc3c2CCCC3)cc1OC,CI,0
COc1ccc(-c2c3c(nc4nc(S)nc(S)c24)CCCC3)cc1OC,CI,0
COc1ccc(-c2c3c(nc4nc(SC)nc(SC)c24)CCCC3)cc1OC,CI,0
O=c1cc(CBr)c2ccc(O)cc2o1,CI,0
CN(C)c1cccc(C=C(C#N)c2ccccc2)c1,CI,0
CCCCCSCCCCCCCC(=O)O,CI,0
COc1ccc2c(c1)OCC1c3cc(O)c4c(OC)cccc4c3OC21,CI,0
S=C1CCSc2c(ccc3ccccc23)N1,CI,0
CCOC(=O)c1ccc(N=C2Sc3nc4ccccc4n3C2=Nc2ccc(C(=O)OCC)cc2)cc1,CI,0
O=C1NN(Cc2ccccc2)C(=O)N2CCCC12,CI,0
CC(=O)c1c(-c2ccco2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C,CI,0
CC(=O)OCC1OC(n2c(-c3ccccc3)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC1Cc2c(-c3ccc(O)c4ccccc34)c(O)cc(O)c2C(C)N1,CI,0
CC12CCC3C(CCC4CC(=CC#N)CCC43C)C1CCC2=CC#N,CI,0
COC(=O)c1cc(Cc2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC,CI,0
CNC(=S)NNc1ncnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccc(C)cc1,CI,0
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NN=C4SCC(=O)N4C)ncnc32)cc1,CI,0
Oc1nc2cc3nc(O)c(O)nc3cc2nc1O,CI,0
[N-]=[N+]=C1CNC(=O)NC1=O,CI,0
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.O=S(=O)(O)O,CI,0
CC1C(c2ccccc2)[OH+][B-](c2ccccc2)(c2ccccc2)N1C,CI,0
S=C(NN=Cc1ccccn1)N1CCCCCC1,CI,0
CNC(=S)NN=Cc1cccc(C)n1,CI,0
CC(=NNC(=S)NCCNC(=S)NN=C(C)c1ccccn1)c1ccccn1,CI,0
CC(=NNC(=S)N(C)CCN(C)C(=S)NN=C(C)c1ccccn1)c1ccccn1,CI,0
CSC(=S)Nc1cc(C)ccn1,CI,0
CSC(=S)Nc1cccc(C)n1,CI,0
COc1cccc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)c1OC,CI,0
COc1cccc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)c1OC,CI,0
CC1C(c2ccccc2O)c2cc3c(cc2OC1N1CCCC1)OCO3,CI,0
COc1cc(C2c3cc4c(cc3OC(NNS(=O)(=O)c3ccc(C)cc3)C2C)OCO4)cc(OC)c1OC,CI,0
CCN(CC)C1Oc2cc3c(cc2C(c2cc(OC)c(OC)c(OC)c2)C1C)OCO3,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)C(CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
O=C(CC(NC(=O)OCc1ccccc1)C(=O)NC1Cc2ccccc2C1=O)OCc1ccccc1,CI,0
CCCCOC(=O)C(O)Cc1ccoc1,CI,0
c1cnc2c(c1)CCc1cc3cccnc3nc1-2,CI,0
CCOC(=O)c1cc2c(nc1N)C(=O)CCCC2,CI,0
C=CCC12CC(C=CC13OCCO3)OC(O)C2C,CI,0
C=C1CC(Cn2ccc(=O)[nH]c2=O)(c2ccc(OC)cc2)OC1=O,CI,0
C=C1CC(Cn2cc(C)c(=O)[nH]c2=O)(c2ccc(Cl)cc2)OC1=O,CI,0
C=C1CC(Cn2cc(Br)c(=O)[nH]c2=O)(c2ccc(Br)cc2)OC1=O,CI,0
CC(=NNC(=S)Nc1cccc(C)c1)c1ccccn1,CI,0
CC(=NNC(=S)N1CCCCCC1)c1cccc(C(C)=NNC(=S)N2CCCCCC2)n1,CI,0
CC1=NC2(CCCCC2)N(Cl)C(=O)C1SC#N,CI,0
CCN(CC)C(=O)Cn1c2c(c3ccccc31)CCCC2,CI,0
O=C(Cn1c2c(c3ccccc31)CCCC2)N1CCCC1,CI,0
O=c1cc(-c2ccccc2)oc2ccc(-c3ccc4oc(-c5ccccc5)cc(=O)c4c3)cc12,CI,0
O=C(C=Cc1ccccc1)c1cc(C(=O)C=Cc2ccccc2)c(O)cc1O,CI,0
CC(C)(N=NC(C)(C)C1=NCCN1)C1=NCCN1.Cl,CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CI,0
Cl.Cn1cc(N)cc1C(=O)Nc1cc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)n1.[KH],CA,1
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c5c4)n(C)n3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)n1.[KH],CA,1
CC(CCc1nc2ccccc2[nH]1)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,CI,0
CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CCC2(C)C(C(C)CCc3nc4ccccc4n3C(C)=O)CCC12,CI,0
CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CCC2(C)C(C(C)CCc3nc4ccccc4[nH]3)CCC12,CI,0
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCc4nc5ccccc5[nH]4)CCC32)C1,CI,0
CC(CCc1nc2ccccc2[nH]1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,CI,0
O=C(O)C1C=CCN1C(=O)C1C=CCN1C(=O)C1C=CCN1,CI,0
COC(=O)CCC(NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(C)=O)C(N)=O,CI,0
CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC,CI,0
CC(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(N)=O,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)C3C2C1,CI,0
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC(=O)OCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1)OC(=O)CCCCCCCC=CCCCCCCCC,CI,0
CC(C)(C)ON=Cc1cc(NC(=S)c2ccsc2)ccc1Cl,CA,1
Cc1sccc1C(=S)Nc1ccc(Cl)c(C=NOC(C)(C)C)c1,CA,1
CCCC[P+](CCCC)(CCCC)C(C(=O)OC)C(C(=O)OC)=C1SC(C(=O)OC)=C(C(=O)OC)S1.[Cl-],CI,0
CCCCCCCCC=CCCCCCCCCOP(=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,CM,1
Cn1c(-c2csc(-c3ccc(Cl)cc3)n2)n[nH]c1=S,CI,0
CCCCCCCCCC1(N=[N+]=[N-])C(=O)c2ccccc2N(C)C1=O,CI,0
[N-]=[N+]=Nc1c(Cl)c(=O)n(-c2ccccc2)c2ccccc12,CI,0
COc1c(Cl)nc2ccccc2c1N=[N+]=[N-],CI,0
[N-]=[N+]=Nc1c(C=O)c(=O)n2c3c(cccc13)CCC2,CI,0
[N-]=[N+]=Nc1c(-c2ccccc2)c(Cl)nc2ccccc12,CI,0
[N-]=[N+]=Nc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12,CI,0
[N-]=[N+]=Nc1c(Cc2ccccc2)c(Cl)nc2ccccc12,CI,0
O=[Sb](O)(O)c1ccccc1,CI,0
O=C(CN1CCN(Cc2ccccc2)CC1)N1CCCn2c1nc1ccccc1c2=O,CI,0
Cc1cc2nnc(C(N)=O)c(N)c2cc1C,CI,0
NC(=O)c1nnc2ccc(F)cc2c1N,CI,0
NC(=O)c1nnc2cc(F)ccc2c1N,CI,0
NC(=O)c1nnc2cc(F)c(F)cc2c1N,CI,0
NC(=O)c1nnc2c(F)cccc2c1N,CI,0
Nc1c(C(=O)O)nnc2ccc(Cl)cc12,CI,0
Nc1c(C(=O)O)nnc2cc(Cl)ccc12,CI,0
I.S=C(NNC1=NCCCCN1)Nc1ccc(Cl)cc1,CI,0
CN(NC(=O)c1ccc(Cl)cc1)C1=NCCCCN1.I,CI,0
CN(NC(=O)c1cccs1)C1=NCCCCN1.I,CI,0
ON=C1C=Cc2nn(-c3ccccc3)nc2C1=NO,CI,0
Oc1ccccc1-n1nc2ccc3nonc3c2n1,CI,0
O=[N+]([O-])c1cc2nn[nH]c2c2nonc12,CI,0
Brc1cc2nn(-c3ccccc3)nc2c2nonc12,CI,0
CN1C(=CN=O)C(C)(C)N(O)C1(C)C,CI,0
COC(=O)CCc1c(Cc2ccc[nH]2)[nH]c(C(=O)OCc2ccccc2)c1C,CI,0
CCCCSCCC(N)P(=O)(O)O,CI,0
CSCCC(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,CI,0
CCOC(=O)C1CCCC1S(=O)(=O)c1ccc(C)cc1,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(N)=O,CI,0
CCOC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)NC(=O)OCc1ccccc1,CI,0
CC(NC(C#N)CC12CC3CC(CC(C3)C1)C2)c1ccccc1,CI,0
N#CSC#CCCC#CSC#N,CI,0
CC(=O)CCCCC(=O)Nc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc2ccccc2)cc1,CI,0
CC(C)CC1N=C(OCc2ccccc2)OC1=O,CI,0
CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC(=O)O2,CI,0
CC(=O)Oc1c(C)cc2c(c1C)C(C)CN2C(C)=O,CI,0
CC(=O)N1CC(C)(C)c2c1cc(C)c(O)c2C,CI,0
CC(=O)Oc1c(C)cc2c(c1C)C(C)(C)CN2C(=O)C(C)(C)C,CI,0
Cc1cc2c(c(C)c1O)C(C)(C)CN2C(=O)C(C)(C)C,CI,0
CC(NC(=O)C(Cc1ccc(OC(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NN,CI,0
O=c1c2cn[nH]c2nc2scc(-c3ccc(Cl)cc3)n12,CI,0
O=C1CC(c2ccccc2)NC(=O)N1CCN1CCOCC1,CI,0
COC(=O)Cc1cccc2c(=O)c(S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3)c(-c3ccccc3)oc12,CI,0
Cl.c1ccc2c(CN3CCC(C4CCN(Cc5cccc6ccccc56)CC4)CC3)cccc2c1,CI,0
O=C(CN(C(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)OC12CC3CC(CC(C3)C1)C2)Oc1ccc([N+](=O)[O-])cc1,CI,0
Cc1cc(C)c(C2CC(O)C(CO)O2)cc1C,CI,0
CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)cc2)c1.Cl,CI,0
CCN(CCCl)c1cc(C[N+](C)(C)[O-])cc(NC(=O)c2ccc(C(=O)Nc3cc(C[N+](C)(C)[O-])cc(N(CC)CCCl)c3)cc2)c1,CI,0
COc1ccc(C=C2CSCC(=Cc3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC,CI,0
S=C1NC2=C(CSCC2=Cc2ccccc2)C(c2ccccc2)N1,CI,0
S=C1NC2=C(CSCC2=Cc2cccc(Br)c2)C(c2cccc(Br)c2)N1,CI,0
CC(C)c1ccc(C=C2CSCC3=C2NC(=S)NC3c2ccc(C(C)C)cc2)cc1,CI,0
S=C1NC2=C(CSCC2=Cc2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1,CI,0
CCOP(=O)(OCC)C(C)(C)N(C)C(F)=NC(F)(F)F,CI,0
CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C,CI,0
NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1,CI,0
CC(C)COP(C)(=O)C(N)(C(F)(F)F)C(F)(F)F,CI,0
CC(C)N(C(F)=NC(=O)Nc1ccccc1C(F)(F)F)C(C)C,CI,0
CCCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1,CI,0
O=C(O)c1ccccc1C(=O)OC1CC2CCC1C2,CI,0
CC12CCCC3(CC(OC(=O)c4ccccc4)C(C)(C)C3C(O)C1)C2,CI,0
CN1C2CC(=O)CC1C1OC(c3ccccc3)OC12,CI,0
CCCCC1(c2sccc2C(O)(C(F)F)C(F)(F)F)NC(C)(C)CO1,CI,0
CC1(C)N=c2nc[nH]c2=C(C(N)=O)N1,CI,0
CCC1(C)N=c2c(ncn2N=C(C)C)=C(C(N)=O)N1,CI,0
CC1=Nc2c(C#N)ncn2N=C(C)C1,CI,0
Oc1ccc(Cl)cc1-c1nc(S)nc(-c2ccccc2)c1Cl,CI,0
COC(=O)c1ccccc1CC(Cc1ccc2c(c1)CCC2)C(=O)OC,CI,0
O=C1c2ccccc2CC12Cc1cc3c(cc1C2)CCC3,CI,0
COC(O)C(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1=O)CCC3,CI,0
CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1=O)CCC5)C3)CCC2,CI,0
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1O,CI,0
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1,CI,0
C=CCN1CC2CON(C(=O)C(OC)(c3ccccc3)C(F)(F)F)C2C1C(C)C,CI,0
O=C1CCc2cc3c(cc21)CC1(Cc2ccccc2C1)C3,CI,0
CCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)C(=O)CC3,CI,0
COC(=O)CCCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCCC3,CI,0
CCCCCC=CCCCC=CCCCCCCOP(=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,CM,1
CSC(=NS(=O)(=O)c1ccc(Cl)cc1)NCCN=C(NS(=O)(=O)c1ccc(Cl)cc1)SC,CI,0
CC1(C)OC2Cn3c(c(C#N)c4ccccc43)C2O1,CI,0
CCOC(=O)c1nc2ccccc2nc1Nc1cc(OC)c(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2ccccc2nc1Nc1ccc(OC)c(OC)c1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC,CM,1
CCOC(=O)c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1,CM,1
CCOC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1,CI,0
O=C(O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)O)cc1)C(=O)O,CI,0
CN(CCc1ccccn1)C(=S)NN=Cc1ccccn1,CI,0
CC(=NNC(=S)NC1CCCC1)c1ccccn1,CI,0
CCC(C)NC(=S)NN=C(C)c1ccccn1,CI,0
CCCCCCNC(=S)NN=C(C)c1ccccn1,CI,0
CC(C)(C)NC(=S)NN=Cc1ccccn1,CI,0
Cc1cccc(C=NNC(=S)NC(C)(C)C)n1,CI,0
Clc1ccc(-c2c3ccc(n3)c(-c3ccc(Cl)cc3)c3ccc([nH]3)c(-c3ccc(Cl)cc3)c3ccc(n3)c(-c3ccc(Cl)cc3)c3ccc2[nH]3)cc1,CI,0
CCCCCc1c2ccc(n2)c(CCCCC)c2ccc([nH]2)c(CCCCC)c2ccc(n2)c(CCCCC)c2ccc1[nH]2,CI,0
CCCCCCCCCCc1c2ccc(n2)c(CCCCCCCCCC)c2ccc([nH]2)c(CCCCCCCCCC)c2ccc(n2)c(CCCCCCCCCC)c2ccc1[nH]2,CI,0
ClCCCCCc1c2ccc(n2)c(CCCCCCl)c2ccc([nH]2)c(CCCCCCl)c2ccc(n2)c(CCCCCCl)c2ccc1[nH]2,CI,0
CCOC(=O)C(SC#N)=C(N)N1CCCC1,CI,0
CCOC(=O)c1c(-c2ccccc2)nc2c(OC)nccn12,CI,0
CCC1ON(C)C2CN(C)C(=O)C12,CI,0
CN1CC2C(C1=O)C(c1ccccc1)ON2C,CI,0
CN1CC2C(C1=O)C(c1ccc([N+](=O)[O-])cc1)ON2C,CI,0
O=C(Sc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1)c1ccc(Cl)cc1,CI,0
c1ccc(N=C(Nc2ccccc2)N2CCCC2)cc1,CI,0
COc1cc(C(=O)Oc2c(C#N)sc3c2c(=O)n(-c2ccccc2)c(=S)n3-c2ccccc2)cc(OC)c1OC,CI,0
N#Cc1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
COc1cc(C(=O)Oc2c(C(C)=O)sc3c2c(=O)n(-c2ccccc2)c(=S)n3-c2ccccc2)cc(OC)c1OC,CI,0
CC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CCOC(=O)c1sc2c(c1OC(=O)c1cc(OC)c(OC)c(OC)c1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CCOC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
COc1cc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)cc(OC)c1O,CI,0
CCOC(=O)c1c(O)nc2cccc3sc4ncccc4c1c23,CI,0
O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccccc2C(=O)O)c1-c1ccccc1)Nc1ccc(Cl)cc1,CI,0
Cl.N=C1Nc2ccccc2Sc2nc3ccccc3n21,CI,0
COc1ccc2c(c1)NC(=N)n1c(nc3ccccc31)S2.Cl,CI,0
N=C1Nc2cc(C(F)(F)F)ccc2Sc2nc3ccccc3n21,CI,0
N=C1Nc2cc(Cl)ccc2Sc2nc3ccccc3n21,CI,0
COc1ccc2c(c1)nc1n2C(=N)Nc2ccccc2S1,CI,0
N=C1Nc2ccccc2Sc2nncn21,CI,0
COc1ccc(C=c2sc3n(c2=O)C(c2ccccc2)C2(O)CCCCC2N=3)cc1,CI,0
COc1ccc(N2C(=Nc3ccccc3)SC(=NS(=O)(=O)c3ccccc3)C2=NS(=O)(=O)c2ccccc2)cc1,CI,0
O=C1C(=O)N(C2CCCCC2)C(=S)N1C1CCCCC1,CI,0
COc1ccc(N2C(=O)C(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=S)cc1,CI,0
COc1ccc(N2C(=O)C(=O)N(c3ccccc3[N+](=O)[O-])C2=S)cc1,CI,0
CCOC(=O)c1ccc(N=c2sc3ccccc3nc2Nc2ccc(C(=O)OCC)cc2)cc1,CI,0
CCCCCCCCCCCC(=O)Oc1c(Cl)cc(Cl)c(OC(=O)C(=O)Oc2c(Cl)cc(Cl)c(OC(=O)CCCCCCCCCCC)c2Cl)c1Cl,CI,0
Cc1ccc(-c2nc3n(c2C=NNC(=N)N)CCS3)cc1.Cl,CI,0
C=CC1(c2ccc3ccccc3c2)OCC(CC)(CC)CO1,CI,0
CCn1c(=O)c2nc(SC)sc2n(-c2ccccc2)c1=S,CI,0
CCOC(=O)Cn1c(=O)c2nc(SC)sc2n(CC)c1=S,CI,0
CCn1c(=O)c2nc(SC)sc2n(-c2ccc(C)cc2)c1=O,CI,0
CN(C)CCn1c2ccccc2c2nc3cc4ccccc4cc3nc21.Cl,CI,0
O=C(NN=C(c1ccccc1)C(F)(F)F)c1ccncc1,CI,0
COC(=NN=C(c1ccccc1)C(F)(F)F)c1ccncc1,CI,0
CC(=O)Oc1ccccc1C=CC(=O)C=Cc1ccccc1OC(C)=O,CI,0
O=C1CC(c2ccccc2)C2(C(=O)c3ccccc3C2=O)C(c2ccccc2)C1,CM,1
CC(=O)Oc1ccccc1C1CC(=O)CC(c2ccccc2OC(C)=O)C12C(=O)c1ccccc1C2=O,CI,0
Cc1cc(Cl)c2c(c1)C(=O)C(=Cc1ccc(Cl)cc1)O2,CI,0
COc1ccc(-c2cc(-c3ccc(C)cc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1,CI,0
CC(=O)OCC1OC(n2c(-c3ccc(C)cc3)cc(-c3ccccc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C2OCC(O)C(O)C2O)c1=S,CI,0
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)n2C2OC(CO)C(O)C(O)C2O)cc1,CI,0
COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1,CI,0
CC(Nc1ccc(Cl)cc1)c1ccncc1,CI,0
CC(Nc1cc(Cl)cc(Cl)c1)c1ccncc1,CI,0
CC(Nc1ccc(Cl)c(Cl)c1)c1ccncc1,CI,0
CC(Nc1cccc(Cl)c1)c1ccncc1,CI,0
COc1ccc(NC(C)c2ccncc2)cc1,CI,0
CC(=Nc1ccc(Cl)cc1)c1ccncc1,CI,0
CC(=Nc1cc(Cl)cc(Cl)c1)c1ccncc1,CI,0
CC(=Nc1ccc(Cl)c(Cl)c1)c1ccncc1,CI,0
CC(=Nc1cccc(Cl)c1)c1ccncc1,CI,0
O=C1c2c(F)c(F)c(F)c(F)c2SC2=NCCN12,CI,0
O=C(c1c(F)c(F)c(F)c(F)c1F)n1c(=S)n(C(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccccc21,CI,0
O=C(OC1C#CCSCC#CC=C1)c1ccc2c(c1)C(=O)c1ccccc1C2=O,CI,0
S=c1[nH]nc(-c2ccccc2Cl)o1,CI,0
CC(c1ccccn1)=[N+]1[N-]C(N)=[S+][AlH3-]12[OH+]B(c1ccccc1)[OH+]2,CI,0
CN1C(NC#N)=NP(=O)(O)C1(C)C.N,CI,0
CCCN.CCOP1(=O)N=C(NC#N)N(C)C1(C)C,CI,0
CCCCCCOP(=O)(OCCCCCC)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F,CI,0
CCCCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1ncccn1)(C(F)(F)F)C(F)(F)F,CM,1
CCOC(=O)NC(Nc1ccc(Cl)cn1)(C(F)(F)F)C(F)(F)F,CI,0
CCCC(Cl)=NOC(NC(=O)OCC)(C(F)(F)F)C(F)(F)F,CI,0
O=C(Nc1ccc(C(F)(F)F)cc1)NC(F)(F)F,CI,0
CCOC(=O)C(NC(C)=O)(Nc1ccc(F)cc1)C(F)(F)F,CI,0
FC(F)(F)C(C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1)C(F)(F)F,CI,0
CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1,CI,0
CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1,CI,0
COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C1CC(c1ccccc1)C2C(=O)OC,CI,0
COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)CCC1C2C(=O)OC,CI,0
COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C(C)CC1C2C(=O)OC,CI,0
COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C(C)C(C)C1C2C(=O)OC,CI,0
CCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)n2c(cc3c(Cl)cccc32)c1O,CI,0
COc1ccc(OC)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Cl-],CI,0
C=CCOC(=O)NC1C(OC(C)C(NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC(C)C1=C(O)C(=O)C2(C)CC=C(C)CCC=C(C)CCC(O)C(C)CCC12,CI,0
CC(=O)OCC(C)C1=C(OC(C)=O)C(=O)C2(C)CC=C(C)CCC=C(C)CCC(OC(C)=O)C(C)CCC12,CI,0
CC(C)CC1NC(=O)CCC(NC(=O)C(Cc2ccc(O)cc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)NC1=O,CI,0
CC(C)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1-c1ccccc1.Cl,CI,0
Nc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1C=O,CI,0
CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC1CCCC1C(=O)OCc1ccccc1,CI,0
COC(=O)C1(NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(C)OC(C)(C)C)CCCC1,CI,0
COc1cc2c(cc1OC)C(C1CC1)ON(C)CC2,CM,1
COc1ccc(Nc2nc3ccccc3nc2C(=O)O)cc1OC,CI,0
COc1cc(Nc2nc3ccccc3nc2C(=O)O)cc(OC)c1OC,CI,0
O=C(O)c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1)C(=O)OCC,CI,0
CCOC(=O)c1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Nc1cc(OC)c(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(Cl)c(Cl)c1,CI,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1cc(OC)c(OC)c(OC)c1,CI,0
Clc1cccc(-c2nc3cccc4c3n2Cc2ncccc2-4)c1,CI,0
CCCCNc1nc2ccccc2c2c1ncn2CC(C)C,CI,0
COc1cc(N)c2c(c1)SC(c1ccccc1)C(=O)N2,CI,0
O=Cc1cc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4cc(C=O)c5cccnc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ncccc12.[NaH],CM,1
O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(Sc1ccccc1)N1CCCCC1,CI,0
O=C(Cc1nccc2c1[nH]c1ccccc12)OC1C#CCSCC#CC=C1,CI,0
COc1ccc2c(c1)OCC1c3cc(NC(=O)c4ccccc4)c(OC)cc3N(S(=O)(=O)c3ccccc3)C21,CI,0
Cc1ccc(C2=Nc3cc(C)c(Cl)cc3S(=O)(=O)NN2)cc1,CI,0
COc1ccc(C(=NO)c2ccccc2-c2nc3ccccc3c(=O)n2-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C,CI,0
COc1ccc(C(=NO)c2ccccc2-c2nc3ccccc3c(=O)n2-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C,CI,0
COc1c(C(=O)C(=NNc2ccc(C(=O)O)cc2)C(C)=O)c(O)cc2occc12,CI,0
COc1c(C(=O)C(=NNc2cccc(Cl)c2)C(C)=O)c(O)c(OC)c2occc12,CI,0
COc1c(C(=O)C(=NNc2ccccc2)C(C)=O)c(O)c(OC)c2occc12,CI,0
CC(NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O,CI,0
O=C(NCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccc(O)c1O,CI,0
COc1ccc(CSCc2cc(OC)c(OC)c(OC)c2)cc1,CI,0
Cc1nc2ccc(Cl)cc2c(Cl)c1CCCl,CI,0
Cc1nc2c(Cl)cc(Cl)cc2c(Cl)c1CCCl,CI,0
O=C1Cc2c([nH]c3c(Br)cccc23)-c2ccccc2N1,CI,0
COC(=O)CCC12CCC(O1)c1ccccc12,CI,0
O=[N+]([O-])c1cc(Cl)cc2cc(Br)cnc12,CI,0
O=[N+]([O-])c1cc(Br)cc2cc(Cl)cnc12,CI,0
Oc1cc(F)cc2cccnc12,CI,0
Oc1c(Cl)ccc2cccnc12,CI,0
Oc1c(Br)ccc2cccnc12,CI,0
Oc1cc(Cl)cc2cccnc12,CI,0
Oc1cc(Br)cc2cccnc12,CI,0
Oc1cccc2c(Cl)ccnc12,CI,0
Oc1cccc2c(Br)ccnc12,CI,0
Oc1cccc2cc(Cl)cnc12,CI,0
Oc1cccc2cc(Br)cnc12,CI,0
Oc1cccc2ccc(Br)nc12,CI,0
O=[N+]([O-])c1cc(Cl)cc2cc(Cl)cnc12,CI,0
Nc1cccc2cc(Cl)cnc12,CI,0
Nc1cc(Cl)cc2cc(Cl)cnc12,CI,0
Oc1cc(Cl)cc2cc(Cl)cnc12,CI,0
Oc1cc(Br)cc2cc(Br)cnc12,CI,0
Oc1cc(Cl)cc2cc(Br)cnc12,CI,0
CC(=O)OCC1OC(n2c(Br)nc3c2c(=O)n(C)c(=O)n3C)C(OC(C)=O)C1OC(C)=O,CI,0
O=C(Nc1noc(-c2ccccc2)n1)c1ccccc1CNc1noc(-c2ccccc2)n1,CI,0
CC(C)C1ON1C(C)c1ccccc1,CI,0
COC(=O)C1C(C(C)C)OC(C(C)C)OC1C(F)(F)F,CI,0
NC(=O)C1CCCN1C(=O)N(CCCl)N=O,CI,0
COC(=O)C1CCC(=O)N1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2,CI,0
COc1cc(C(O)c2ccc3c(c2)OCO3)cc(OC)c1OC,CI,0
CCCCc1nc(C)oc1C(C)C,CI,0
S=C(NN=Cc1ccccn1)NN=Cc1ccccn1,CI,0
O=S1(=O)c2ccccc2N2C(c3ccccc3)=NOC2(c2ccccc2)CC1c1ccc(Br)cc1,CI,0
CC(=NNC(=O)NN=C(C)c1ccccn1)c1ccccn1,CI,0
CCN(CC)C(=S)NN=C(C)c1cccc(C)n1,CI,0
CC(=NNC(=S)N1CCCCC1)c1cccc(C)n1,CI,0
CCNC(=S)NN=Cc1ccccn1,CI,0
Cc1cc(S(=O)(=O)Nc2nc(=N)n(-c3ccccc3)[nH]2)c(S)cc1Cl,CM,1
Cc1cc(S(=O)(=O)Nc2nc(=N)n(-c3ccccn3)[nH]2)c(S)cc1Cl,CM,1
Cc1cc(C(F)(F)F)cc(-n2[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)nc2=N)n1,CI,0
CNC(=NN)NS(=O)(=O)c1cc(C)c(Cl)cc1S,CI,0
COC1CC(C)([N+](=O)[O-])C(O)C(C)O1,CI,0
COC1CC(C)(NC(=O)C(F)(F)F)C2OC(c3ccccc3)OCC2O1,CI,0
COC1CC(C)(NC(C)=O)C2OC(c3ccccc3)OCC2O1,CI,0
[O-]c1c2cc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc1COC(c1ccccc1)C(c1ccccc1)OCc1cccc(n1)COC(c1ccccc1)C(c1ccccc1)OC2,CI,0
COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O,CI,0
COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O,CI,0
NC(=O)c1cccc(N=O)c1,CI,0
CC(=O)Oc1ccc2c(c1)c1c(=O)oc(C)nc1n2Cc1ccccc1,CI,0
Cc1[nH]c(-c2ccccc2)c2nc(N(C)C)oc(=O)c12,CI,0
CC(C)(C)OC(=O)N1CCc2c(n(CC=Cc3ccccc3)[nH]c2=O)C1,CI,0
N#CCN1CCCN(CC#N)CCN(CC#N)CCCN(CC#N)CC1,CI,0
CN(C)CCNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,CI,0
O=C(c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCCC5)C3)CCCC2)C(Br)Br,CI,0
COC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1=O)CCC3,CI,0
COC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1)CCC3,CI,0
COC(=O)C(Cc1ccc2c(c1)CCC2)Cc1ccc2c(c1)CCC2,CI,0
O=C(O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1=O)CCC3,CI,0
CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl,CA,1
CC(C)=CCOc1cc(NC(=S)c2ccsc2C)ccc1Cl,CA,1
CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(F)(F)F,CI,0
CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)(C(F)(F)F)C(F)(F)F,CI,0
COc1ccc(NS(=O)(=O)c2ccc(NC(NC(=O)CC(C)C)(C(F)(F)F)C(F)(F)F)cc2)nn1,CI,0
CC(C)CC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)CC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F,CI,0
CCOC(=O)NC(C(=O)OCC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(=O)OCC)C(F)(F)F,CI,0
O=c1[nH]nc(Cc2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1,CI,0
CC=CC=CC=CC(O)C(C)C(CCC(C)C1OC(=O)C=CC1C)OP(=O)(O)O.[NaH],CI,0
Nc1nc(N)c2nnsc2n1,CI,0
CCCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O,CI,0
C=CCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O,CM,1
CC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O,CA,1
CC1(c2ccccc2)Sc2ccccc2-n2cccc2C1=O,CM,1
CS(=O)(=O)N1CC(CCl)c2ccc(O)cc21,CI,0
CS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2COS(C)(=O)=O,CI,0
CS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2CCl,CI,0
CS(=O)(=O)N1CC(CI)c2ccc(O)cc21,CI,0
CC(=O)OCC12C(OC(C)=O)CC(C)C3(CC(c4ccoc4)OC3=O)C1CCC(OC(C)=O)C21CO1,CI,0
O=C1Nc2nccnc2C(=O)N2CCCC12,CI,0
CCN(CC)CCn1c(=O)c2ccccc2n2c3c(=O)n(C)c(=O)n(C)c3nc12,CI,0
CCN(CC)CCn1c(=O)c2cccnc2n2c3c(=O)n(C)c(=O)n(C)c3nc12,CM,1
CCN(CC)CCCn1c(=O)c2ccccc2n2c3c(=O)n(C)c(=O)n(C)c3nc12,CI,0
CSc1nc2c(=O)oc(-c3ccc([N+](=O)[O-])cc3)nc2s1,CI,0
CCCNC(=O)c1nc(SC)sc1NC(=O)c1ccccc1,CI,0
CCCNC(=O)c1sc(SC)nc1NC(=O)c1ccc(OC)cc1,CI,0
CCOC(=O)c1sc(SC)nc1NC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
CCCNC(=O)c1nc(SC)sc1NC(=O)c1ccc(OC)cc1,CI,0
CCOC(=O)c1sc(SC)nc1NC(=O)c1ccc(OC)cc1,CI,0
COc1ccc(C2=Nn3c(nc4sc(-c5ccccc5)cc4c3=O)SC2)cc1,CI,0
O=C(O)c1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Nc2cnc3cc(C(F)(F)F)ccc3n2)cc1)C(=O)OCC,CI,0
CC(C)CCn1c(=O)c2c(=O)[nH][nH]c2c2ccccc21,CI,0
CCCc1c(O)nc2ccccc2c1O,CI,0
C=CCn1c(=O)c(-c2ccccc2)c(O)c2ccccc21,CI,0
O=C(NCCO)c1c(O)nc2ccccc2c1O,CI,0
O=C(NCCCCl)c1c(O)nc2ccccc2c1O,CI,0
CN(C)CCCNC(=O)c1c(O)c2ccccc2n(C)c1=O.Cl,CI,0
O=c1c2cccnc2n2n1Cc1ccccc1C2,CI,0
O=[N+]([O-])c1ccc2[nH]nc(OCc3ccccn3)c2c1,CM,1
Oc1nnnc2c1sc1ncccc12,CI,0
N#CC(C(=O)Nc1ccccc1)=C(N)N1CCCC1,CI,0
N#CC(C(=S)Nc1ccccc1)=C(N)N1CCCC1,CI,0
CCOC(=O)c1c(N2CCCC2)ncn(-c2ccccc2)c1=S,CI,0
CCOC(=O)Cn1sc2ncc([N+](=O)[O-])cc2c1=O,CM,1
CC12Nc3c(Cl)cc(Cl)cc3N1C(=O)c1ccccc12,CI,0
COc1c(C(=O)O)cccc1-c1cccc(C(=O)NCCN(CCNC(=O)c2cccc(-c3cccc(C(=O)O)c3OC)c2OC)CCNC(=O)c2cccc(-c3cccc(C(=O)O)c3OC)c2OC)c1OC,CI,0
CCCCCn1c(=O)c2c(=O)[nH][nH]c2c2ccccc21,CI,0
CCNC(=O)c1c(O)nc2ccccc2c1O,CI,0
O=C(NCc1ccccc1)c1c(O)nc2ccccc2c1O,CI,0
O=C(NCCc1ccccc1)c1c(O)nc2ccccc2c1O,CI,0
COCCNC1CCC(=O)c2[nH]c3ccccc3c21,CI,0
CN(N=C(C(=O)O)c1ccccc1)C1=NCCN1.I,CI,0
COc1cc(C=NNC2=NCCN2)ccc1O.I,CI,0
CC(C)C1CC(CO)(CNc2cc(Cl)nc(N)n2)C1,CI,0
Nc1nc(Cl)c(N)c(NCC2(CO)CC(O)C2)n1,CI,0
Nc1nc(Cl)cc(OCC2CC(O)(CO)C2)n1,CI,0
CCOP(=O)(CCCC(O)CNc1nc(N)nc(Cl)c1N=Nc1ccc(Cl)cc1)OCC,CI,0
O=c1ccn(CC2(CO)CCCC2)c(=O)[nH]1,CI,0
Cc1cn(CC2(CO)CCC2)c(=O)[nH]c1=O,CI,0
O=[N+]([O-])c1cccnc1NCC1(CO)CC(Cc2ccccc2)C1,CI,0
Nc1nc(Cl)cc(OCC2(CO)CCCCC2)n1,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cn1)C(N)=O,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(O)cn1)C(N)=O,CI,0
NC(=O)C(N)Cc1ccc(O)cn1,CI,0
NC(Cc1ccc(O)cn1)C(=O)O,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(O)cn1)C(=O)O,CI,0
NC(Cc1ccc(O)cn1)C(=O)NC(C(=O)O)c1ccccc1,CI,0
CC(NC(=O)C(N)Cc1ccc(O)cn1)C(=O)O,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1,CI,0
N#CC(=Cc1cc(O)c(O)c(I)c1)C(=O)NCCCc1ccccc1,CI,0
O=[N+]([O-])c1cc([N+](=O)[O-])c(-[c-]2nc(Cl)c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[n+]2=O)c([N+](=O)[O-])c1,CI,0
O=S(Nc1ccccc1)c1ccccc1Oc1ccccc1,CI,0
N#CC1=C(S)N(C2OC(CO)C(O)C(O)C2O)C(c2ccccc2)=CC1c1cccs1,CI,0
N#CC1=C(S)N(C2OC(CO)C(O)C(O)C2O)C(c2ccccc2)=CC1c1ccccc1,CI,0
CC(=O)OCC1OC(N2C(C)=C(C(C)=O)C(c3ccco3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(N2C(S)=C(C#N)C(c3ccco3)C(C(C)=O)=C2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CM,1
COc1ccc(C2C(C#N)=C(S)N(C3OC(CO)C(O)C(O)C3O)C(C)=C2C(C)=O)cc1,CI,0
CC(=O)OCC1OC(n2c3c(cc(C#N)c2=S)CCCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c3c(cc(C#N)c2=S)CCCCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
N#Cc1cc2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCC2,CI,0
CC(=O)OCC1OC(n2c(=O)[nH]c(=O)c3sccc32)C(Br)C1OC(C)=O,CI,0
CC#[N+][Rh+2]1234[O+]=C5N(C(=O)Cc6ccccc6)CC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1N(C(=O)Cc5ccccc5)CC(C(=O)OC)[NH+]12)([O+]=C1N(C(=O)Cc2ccccc2)CC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)N(C(=O)Cc2ccccc2)CC1C(=O)OC,CM,1
COC(=O)C1CN(C(=O)c2ccccc2)C(=O)N1,CI,0
CCOP(=O)(OCC)C(c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1ccc(OC)cc1,CI,0
CNC(N=C1N(C)C(C)(C)P(=O)(O)N1C)NC,CI,0
CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=N)N(C)C(C(C)C)P(=O)(OC(C)C)OC(C)C)O1,CI,0
C=C1C(=O)OC2CC3(COC(C)=O)C=COC=C(COC(=O)C(C)C)C3CC12,CI,0
C=C1C(=O)OC2CC(C=O)=CC3OC3C(COC(=O)C(C)C)=CCC12,CI,0
COC(=O)C1C=CC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)n2c(=O)c3ccccc3c(=O)n21,CI,0
CCCCCCCCCCCCCCCCNc1ccn(C2CC(O)C(COC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)O2)c(=O)n1,CI,0
CC(CC(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C)[Si](C)(C)C,CI,0
CC(=O)N1CC[N+](C)(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1.[I-],CI,0
CC(C)(C)c1ccc(O)c(C(O)c2ccccn2)c1,CI,0
Cc1cccc(C(O)c2ccccn2)c1O,CI,0
Cc1cccc(C(O)c2ccncc2)c1O,CI,0
CC(NNC(=O)c1ccncc1)c1ccc(F)cc1,CI,0
CC(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O,CI,0
CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Zn-4]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-],CI,0
CC(c1ccccc1F)=[N+]1[N-]C(SCc2ccccc2)=[S+][Pd-2]12[S+]=C(SCc1ccccc1)[N-][N+]2=C(C)c1ccccc1F,CI,0
CC(c1ccccc1F)=[N+]1[N-]C(N)=[S+][Pt-2]12[S+]=C(N)[N-][N+]2=C(C)c1ccccc1F,CI,0
O=C(O)C=CC(=O)O.[N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCN1CCN(Cc2ccc(C(=O)c3ccccc3)cc2)CC1,CI,0
N#Cc1nc(-c2cccs2)oc1N,CI,0
O=C(O)c1ccccc1CC1Cc2ccc3c(c2C1=O)CCC3,CI,0
COC(=O)c1cc2c(c3c1CC(Cc1ccccc1)C3=O)CCC2,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3ccccc23)cc1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)n1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1,CI,0
NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cccc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(NNc4ccc(C(=O)O)cc4)c4ccccc4nc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(NNc4ccc(S(N)(=O)=O)cc4)c4ccccc4nc23)cc1,CI,0
CSc1nnc(SCc2nn3c(=O)cc(C)nc3s2)s1,CI,0
CC1=NN2C(=N)C(=Cc3ccco3)C(=O)N=C2S1,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1,CI,0
CCC1(O[N+](=O)[O-])CN([N+](=O)[O-])C1,CI,0
c1ccc(CNC23C4C5CC6C7C5C2C7C(NCc2ccccc2)(C64)N3Cc2ccccc2)cc1,CI,0
O=C1OC(c2ccccc2)(c2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1,CI,0
Cc1ccc(C2CC(=O)CC(c3ccc(C)cc3)C23C(=O)c2ccccc2C3=O)cc1,CI,0
COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)C23C(=O)c2ccccc2C3=O)cc1,CI,0
OC1CC(c2ccccc2)C2(C(O)c3ccccc3C2O)C(c2ccccc2)C1,CI,0
COc1ccc(Nc2cc(O)nc(O)n2)cc1,CI,0
CC1(C)CCCC2CC2CCC(C)(C)C1=O,CI,0
CC1(C)CCCCCCCCCC2CC2CCC(C)(C)C1=O,CI,0
O=C(NCC(F)([N+](=O)[O-])[N+](=O)[O-])N(CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-],CI,0
NC(=O)SCC(=O)NNc1ccccc1,CI,0
[O-][n+]1ccccc1SSc1cccc[n+]1[O-],CI,0
COc1cccc(SSc2cccc(OC)c2OC)c1OC,CI,0
Nc1c(SSc2ccc3ccccc3c2N)ccc2ccccc12,CI,0
Cc1cc(SSc2cc(C)c3ccccc3n2)nc2ccccc12,CI,0
c1ccc(-c2ccccc2SSc2ccccc2-c2ccccc2)cc1,CI,0
O=C(Nc1ccc(F)c(Cl)c1)Nc1cc(Cl)ccc1SSc1ccc(Cl)cc1NC(=O)Nc1ccc(F)c(Cl)c1,CI,0
CCCCn1c(N)c(N=O)c(=O)n(CCCC)c1=O,CI,0
O=c1cc(-c2ccccc2)oc2ccc(Oc3nnnn3-c3ccccc3)cc12,CI,0
C=CCC1(OCc2ccccc2)C(=O)C(=O)OC1C1COC(C)(C)O1,CI,0
COc1cc(CNNC(N)=S)cc(OC)c1OC,CI,0
CCOc1c(OC)cc(CNNc2nccs2)cc1OC,CI,0
COc1ccc(OC)c(-c2cn3c(n2)sc2ccccc23)c1,CI,0
COc1cc(C)cc2c(-c3c(OC(C)=O)cc(OC(C)=O)c4c3CC(C)N(C(C)=O)C4C)cc(-c3cc(-c4c(OC(C)=O)cc(OC(C)=O)c5c4CC(C)N(C(C)=O)C5C)c4cc(C)cc(OC)c4c3O)c(O)c12,CI,0
C=C(CC1CCCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1,CI,0
CCOC(=O)C1CCC(=O)N1C(=O)c1ccccc1,CI,0
CC(=O)Oc1cc(C)c(OC(C)=O)c2c1C1CCC3(C)C(OC(C)=O)CCC3C1CC2,CI,0
CCC1CCC2C(CCC3(C)C(O[N+](=O)[O-])CCC23)C1C(C)=O,CI,0
CCc1n[nH]c(=O)n1-c1ccncc1,CI,0
CN1C(=O)CC2CCC(=O)N2c2cccnc21,CI,0
CC(=O)OCC1OC(n2c(-c3cccs3)c3c(c(C#N)c2=S)-c2ccccc2CC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c(-c3ccc(Cl)cc3)ccc(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1cc(OC)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1OC,CI,0
O=C1C=CCC(C=CCC(O)CC(O)C=Cc2ccccc2)O1,CI,0
COc1nn(Cc2ccccn2)c2ccc([N+](=O)[O-])cc12,CI,0
Cn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1F,CI,0
CN(CC(=O)Nc1ccccc1C(=O)O)c1ccccc1,CI,0
CCOc1ccc2nc3nc(O)nc(C)c3c(NCCCN(CC)CC)c2c1,CI,0
CC1(C)C=C(S(=O)(=O)c2ccccc2)Oc2ccccc2O1,CI,0
C[Si](C)(C)C1=C([Si](C)(C)C)C(Cl)(Cl)C1=O,CI,0
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)C3CC3C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCN(C)C)n(C)c4)n(C)c3)cn2C)cn1C.Cl,CI,0
Oc1nnc(NCCc2ccccc2)c2nnn(Cc3ccccc3)c12,CI,0
O=C(NCCn1ccnn1)Nc1ccccc1,CI,0
C=CN(C=C)C(=O)Cn1cc(-c2ccccc2)nn1,CI,0
COCCOC(=O)NCn1cc(-c2ccccc2)nn1,CI,0
O=c1cc(N2CCCC2)[nH]c(=O)n1-c1ccccc1,CI,0
Cc1c(CN)c(C)c(CN)c(C)c1CN.Cl,CI,0
C=CCCC1(O)C(O)C(CO)OC(OC2(CO)OC(CO)C(O)C2O)C1O,CI,0
CNc1nc(S)nc2sc3c(c12)CCCC3,CI,0
Sc1nc(Nc2ccccc2)c2c3c(sc2n1)CCCC3,CI,0
O=C1NC(=S)NC1=Cc1ccc(Sc2ccccc2C(=O)O)s1,CI,0
COC(=O)c1cncc2c1CC1C3(C(=O)OC)C=NC(C4C(CO)=CCC43)C21C,CI,0
CCCc1cc(O)c2c(C)c3[nH]c4ccc(Cl)cc4c3c(C)c2n1.CS(=O)(=O)O,CI,0
CCOC(=O)CCCc1cc(O)c2c(C)c3[nH]c4ccc(Cl)cc4c3c(C)c2n1.CS(=O)(=O)O,CI,0
CCOC(=O)CCc1c(C)nc2c(C)c3c([nH]c4ccc(Cl)cc43)c(C)c2c1O,CI,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CC1(C)OCC(COC(=O)C=[N+]=[N-])O1,CI,0
O=C1CC23CC4CC(CC(C4)C2O1)C3,CI,0
[N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCN1CCN(Cc2ccc(C(=O)c3ccc(CSCC(N)C(=O)O)cc3)cc2)CC1,CI,0
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(OC)cc1,CI,0
C=CCOc1ccc(C2C(C(=O)OCC)C(=O)CC(C)(O)C2C(=O)OCC)cc1OC,CI,0
CCOC(=O)C1C(=O)CC(O)(c2ccccc2)C(C(=O)OCC)C1c1ccc(OC)cc1,CI,0
COC(=O)C1C(=O)CC(C)(O)C(C(=O)OC)C1c1ccc(N(C)C)cc1,CI,0
CCOC(=O)C1C(=O)CC(O)(c2ccccc2)C(C(=O)OCC)C1c1ccc(N(C)C)cc1,CI,0
COC(=O)n1c(C)c(C=O)c2ccc(OC)cc21,CI,0
COC(=O)c1c[nH]c2c1-c1cc(C(=O)OCc3ccccc3)n(S(=O)(=O)c3ccc(C)cc3)c1C(=O)C2=O,CI,0
Cc1ccc(S(=O)(=O)n2cc(C#N)c(C#N)c2)cc1,CI,0
Cc1ccc(S(=O)(=O)n2cc(C=O)c(-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3C=O)c2)cc1,CI,0
CC(C)[Si](OC1=C(c2ccccc2)C(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CCC1)(C(C)C)C(C)C,CI,0
O=C(O)C(NCc1ccccc1)C(NCc1ccccc1)C(=O)O,CI,0
N#CCCC(C=O)(CCC#N)CCC#N,CI,0
c1ccc(C2=NCCc3cc4c(cc32)OCO4)cc1,CI,0
N#Cc1nsnc1-c1nc(-c2nsnc2C#N)nc(-c2nsnc2C#N)n1,CI,0
CC(C)(C)c1cc(C2COC(c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CO2)cc(C(C)(C)C)c1O,CI,0
CC1=C(C2=C(C)C(=O)C(=O)c3cc(C)ccc32)c2ccc(C)cc2C(=O)C1=O,CI,0
CCOC(=O)C1=C(C)NC(c2ccco2)=C(C#N)C1c1cccc([N+](=O)[O-])c1,CI,0
CN(C(=O)C12C3C4C1C1C2C3C41C(=O)O)C(C)(C)C,CI,0
CC(C)N(C)C(=O)C12C3C4C1C1C2C3C41C#N,CI,0
CC(C)(C)NC(=O)C12C3C4C1C1C2C3C41C(=O)NC(C)(C)C,CI,0
O=C(O)C12C3C4C1C1C2C3C41C(=O)O,CI,0
COC(=O)C12C3C4C1C1C2C3C41C(=O)NC(C)(C)CC(=O)O,CI,0
CC(C)(C)OC(=O)NC12C3C4C1C1C2C3C41NC(=O)OC(C)(C)C,CI,0
CC(C)N(C(=O)C12C3(C(=O)C(C)(C)C)C4C5(C#N)C3C1(C(=O)C(C)(C)C)C5C42C(=O)C(C)(C)C)C(C)C,CI,0
COC(=O)C12C3C4(C(=O)OC)C1C1(C(=O)OC)C2C3(C(=O)OC)C41C(=O)N(C(C)C)C(C)C,CI,0
CC(C)N(C(=O)C12C3(C(=O)OC(C)(C)C)C4C5(C#N)C3C1(C(=O)OC(C)(C)C)C5C42C(=O)OC(C)(C)C)C(C)C,CI,0
CN(C(=O)C12C3C4(C(=O)O)C1(C(=O)N(C)C(C)(C)C)C1C2(C(=O)O)C3(C(=O)N(C)C(C)(C)C)C14C(=O)N(C)C(C)(C)C)C(C)(C)C,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(COP(=O)(On3nnc4ccccc43)N3CCCCC3)O2)cc1F,CI,0
Cc1c2c(Cl)c3c(c(Cl)c2c(C)c2c(Cl)c4c(c(Cl)c12)C(c1ccccc1)(c1ccccc1)C4(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)C3(c1ccccc1)c1ccccc1,CI,0
O=C1CSC(c2ccc([N+](=O)[O-])cc2)N1c1nc(-c2ccc3c(c2)CCCC3)cs1,CM,1
Cc1cc(CN(Cc2ccccc2)Cc2nc3ccccc3[nH]2)c(O)c(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)c1.Cl,CI,0
Cc1cc(O)nc2cc(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OC(C)(C)C)ccc12,CI,0
O=c1ccn(C2CC2CO)c(=O)[nH]1,CI,0
CCc1ccc(C=CC(=O)C2CN(CC)CCC2(O)C=Cc2ccc(CC)cc2)cc1.Cl,CI,0
CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)O)O2)c(=O)n1,CA,1
CCCCCCCCCCCCCCCCNc1ccn(C2CC(OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])C(CO)O2)c(=O)n1,CA,1
COC(=O)OCC1C=CC(n2cnc3c(Cl)ncnc32)CC1,CI,0
NC(=O)CCN(CCC(N)=O)CCC(N)=O,CI,0
OC(c1ccccc1)(c1cccnc1)C(O)(c1ccccc1)c1cccnc1,CI,0
O=[N+]([O-])c1cccc2nnccc12,CI,0
Cc1cc(C)c2cc(N)c(Cl)nc2n1,CI,0
CC(CNC(=O)c1ccccc1)(CNC(=O)c1ccccc1)[N+](=O)[O-],CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccn1CC(C)C,CM,1
Cc1cc(O)nc(-n2[nH]c3c(c2=O)CCCC3)n1,CI,0
CCc1c(O)n(Cc2ccccc2)c(=S)n(Cc2nc3ccccc3[nH]2)c1=O,CI,0
O=c1c(Cc2ccccc2)c(O)n(-c2ccccc2)c(=S)n1Cc1nc2ccccc2[nH]1,CI,0
Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[OH+][Pd-2]23[N+](C)(C)CC[N+]2(C)CC[N+]3(C)C)cc1,CI,0
Nc1cc(O)nc(N)n1,CI,0
CCCCc1ccc(Nc2nc(Cl)c3ccn(C4CC(Oc5ccc(C)cc5)C(COc5ccc(C)cc5)O4)c3n2)cc1,CI,0
CC1(C)C(C(=O)O)N2C(=O)C(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2S1(=O)=O.[NaH],CI,0
Fc1ccc(-c2sc(-c3cccs3)cc2Cc2cccs2)cc1,CI,0
Cc1ccc(S(=O)(=O)N2CCN(CCO)CCN(S(=O)(=O)c3ccc(C)cc3)CCN(CCO)CC2)cc1,CI,0
Cl.Oc1ccccc1CNCc1nc2ccccc2[nH]1,CI,0
Cc1ccnc2c1ccc1nc3ccccc3n12,CI,0
Cc1ccnc2nc3[nH]c4ccccc4c3cc12,CI,0
CC(=O)Nc1ccc2c(C)c3c(nc2n1)[nH]c1ccccc13,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1cc(OC)c(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(OC)cc1,CI,0
C=C1CC2OC3C4C(CC(C)C(OC(C)=O)C24)C(C)COC3(C)C(OC(C)=O)CC1O,CI,0
[N-]=[N+]=NC1=C(C(=O)c2ccccc2)C(=O)c2cccc3cccc1c23,CI,0
Cn1c(N=[N+]=[N-])c([N+](=O)[O-])c(=O)n(C)c1=O,CI,0
O=c1c2nc(-c3ccccc3)oc2n(-c2ccccc2)c(=O)n1-c1ccccc1,CI,0
CN1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)N(C)C1=O,CI,0
Cn1c(=O)c2nc(-c3ccccc3)oc2n(C)c1=O,CI,0
Cc1nc2c(O)nc3ccc(Cl)cc3c2o1,CI,0
COC(=O)c1ccc(NCC2=CC(=O)c3ccccc3C2=O)cc1,CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4ccc(N)cc43)[nH]c2c(OC)c1OC,CI,0
C1CCC2(CC1)OCC1OC(OC3OC4COC5(CCCCC5)OC4C4OC5(CCCCC5)OC34)C3OC4(CCCCC4)OC3C1O2,CI,0
Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCCCn3c4ccccc4c(=N)c4c(C)cc(C)nc43)c2n1.Cl,CI,0
COc1ccc2c(c1)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21.[Cl-],CI,0
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(C(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C12,CI,0
CCc1n[nH]c(=O)n1NC(=O)CCCC(=O)O,CI,0
CCCCNC(=S)Nc1nc(C(=O)NNC(=S)Nc2ccccc2)cs1,CM,1
[N-]=[N+]=NCc1cccc(Nc2cc(O)nc(O)n2)c1,CM,1
N#CC(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1,CI,0
CC(C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1,CI,0
CCC(C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1,CI,0
C=CCn1c(N)c(C#N)c(C#N)c1CCC,CI,0
CCOC(=O)C1C(C(C)C)C2(C#N)C(=N)OC1(C)C2(C#N)C#N,CI,0
COC1(OC)NC(=N)C2(C#N)C(C)=C3NCN(C)N=C3C12C#N,CI,0
CC(C)C1OC2(C)OC(=N)C1(C#N)C(C#N)(C#N)C2C,CI,0
CON=C1c2sccc2C(NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C1O,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc([N+](=O)[O-])cc1)=NNC(=O)c1cc(Cl)ccc1C(=O)c1ccccc1,CI,0
Cc1cc2c(cc1C)N1C(Cl)=C3CCCCC3=C(C#N)C1N2,CI,0
N#Cc1c2c(c(Nc3ccc(F)cc3)n3c1nc1ccccc13)CCCC2,CI,0
OCCO[P+]1(OCCO)n2c3ccc2C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=c2ccc(n21)=C(c1ccccc1)C1=NC(=C3c2ccccc2)C=C1.[Cl-],CI,0
CCN1CCC(O)(c2ccc(Oc3ccccc3)cc2)C(C(=O)c2ccc(Oc3ccccc3)cc2)C1.Cl,CI,0
Cc1ccc(S(=O)(=O)N2CCN(CCN(C)CCN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1,CI,0
N=c1ccn(C2CCC(CO)O2)c(=S)[nH]1,CI,0
C[N+](C)(CCNC(=O)c1cccc2cc3ccccc3nc12)Cc1ccc([N+](=O)[O-])cc1.[Br-],CI,0
c1ccc2c(c1)ncn2C1CCCCO1,CI,0
CC1(c2nc3ccccc3[nH]2)CCC(CO)C(C)(C)O1,CI,0
Cc1cc2nnn(C3CCCCO3)c2cc1C,CI,0
c1ccc2nn(C3CCCCO3)nc2c1,CI,0
Clc1cc2nn(C3CCCCO3)nc2cc1Cl,CI,0
COc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1,CI,0
O=C1Nc2cc([N+](=O)[O-])ccc2NC1=CC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
O=C1Oc2ccccc2NC1=CC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
Nc1ccccc1C(=O)NN=C1C(=O)Nc2ccccc21,CI,0
Cc1ccc(C(=O)C=C2Nc3ccc([N+](=O)[O-])cc3NC2=CC(=O)c2ccc(C)cc2)cc1,CI,0
c1ccc(-c2cc(-c3cc(-c4ccccc4)n(-c4ccccc4)n3)nn2-c2ccccc2)cc1,CI,0
CC12CCC3c4cc(Br)c(O)c(Br)c4CCC3C1CCC2=O,CI,0
COC(=O)C(Cc1ccccc1)NP(=O)(OCCC#N)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
Cn1cc[n+]([Pt-2]2([n+]3ccn(C)c3)[n+]3ccccc3-c3cccc[n+]32)c1.[O-][Cl+3]([O-])([O-])[O-],CI,0
COc1ccc(-c2oc3c(CC(=O)O)cccc3c(=O)c2OC)cc1,CI,0
COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)C=NCCNCCNCCN=C2,CI,0
CNc1ccccc1S(=O)(=O)c1ccccc1Br,CI,0
CC1=C(C#N)C2C(=C(N)Oc3ccccc32)C(=N)N1,CI,0
Cc1ccc(O)c(C(c2ccc(C(c3cc(C)ccc3O)c3cc(C)ccc3O)cc2)c2cc(C)ccc2O)c1,CI,0
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1,CI,0
O=C(NC1CCC(CC2CCC(NC(=O)c3cc(O)c(O)c(O)c3)CC2)CC1)c1cc(O)c(O)c(O)c1,CI,0
CC(=O)OCC1=C(C)CC(C(COC(C)=O)C2CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC23C)OC1=O,CI,0
C=CCCCCOC1C=CC(OC(C)=O)C(COC(C)=O)O1,CI,0
C=CCCCCCCCCCOC1C=CC(OC(C)=O)C(COC(C)=O)O1,CI,0
C=CCCCCOC1C=CC(O)C(CO)O1,CI,0
C=CCCCCCCCCCOC1C=CC(O)C(CO)O1,CI,0
N#CC1(C#N)NC(c2cccnc2)C(C#N)(C#N)NC1c1cccnc1,CI,0
Fc1cccc(F)c1C1SCc2nc3cc4ccccc4cc3n21,CI,0
O=C1C2=Cc3ccccc3OC2(O)Oc2ccccc21,CI,0
O=C1C2=Cc3ccccc3OC2(O)Oc2cc(O)ccc21,CI,0
O=C1C2=Cc3ccccc3OC2(O)Oc2ccc(O)cc21,CI,0
CC(C)(C)N1C(=O)c2ccccc2C1(O)C(F)(F)F,CI,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(F)cc1,CI,0
COc1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)O)cc1,CI,0
O=C(O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(F)cc1,CI,0
CCOc1cc2c(cc1O)C(=NOC)CC1C2CCC2(C)C(O)CCC12,CI,0
C[N+](C)(CCNc1ccc(NCC[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1ccccc1C2=O)Cc1ccc([N+](=O)[O-])cc1.[Cl-],CI,0
CC1=[O+][Co-4]23(NCC[N+]2(CCCl)CCCl)([O+]=C(C)[C-]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[O+]=C(C)[C-](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=[O+]3.[O-][Cl+3]([O-])([O-])[O-],CI,0
CCOC(=O)P(=O)(O)c1ccc(N(C)Cc2ccccc2)cc1.[NaH],CI,0
Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2CP(=O)(O)O)cc1N,CI,0
OC1(c2ccccc2)CSc2ncnn21,CM,1
Cc1ccc2c(C=Cc3ccc(N(C)C)cc3)ccc(C(C)C)cc1-2,CI,0
CC1=Nc2nc3ccccc3n2C(C)(C)C1,CI,0
CN1CC=C(c2cccn2C)CC1.O=C(O)C(=O)O,CI,0
CC(=O)OC12C3OC4(O)CC5(C)C(c6ccoc6)OC6(C(C)C)CC5C(C4)(OC1(O)C(C)=CC3(C)C)C2O6,CI,0
CC1(C)CCCC2(C)C1CCC1(CO1)C2C=CC(C=O)CC=O,CI,0
CNC1=Nc2ccccc2C(=O)N2CSCC12,CI,0
CN(C)CCNC1=Nc2ccccc2C(=O)N2CSCC12,CI,0
CN(C)CCNC1=Nc2ccccc2C(=S)N2CSCC12,CI,0
O=C1c2cc(Cl)ccc2N=C(NCCCl)C2CSCN12,CI,0
Cc1sc2c(c1C)C(=O)c1cccn1-2,CI,0
C1CN2CN3CN4CCN5CN6CN1[Cu-5]524([SH+]c1nnc6s1)[SH+]c1nnc3s1,CI,0
O=C(O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,CI,0
COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,CI,0
O=S(=O)(c1ccccc1)n1ccc2ccccc21,CM,1
Cc1cc(C)cc(N(C2C3CCC(C)(C2O)C3(C)C)S(=O)(=O)c2ccccc2)c1,CI,0
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,CI,0
CCc1nc2ccc(N=NN(C)C)cc2[nH]1,CM,1
CC(CCc1ccccc1)NCC(O)n1c(N=NN(C)C)nc2c1c(=O)n(C)c(=O)n2C,CI,0
Cn1c(=O)cc(NCc2ccc(Cl)cc2)[nH]c1=O,CI,0
COc1ccc(CNc2cc(=O)n(C)c(=O)[nH]2)cc1,CI,0
CC(=O)Nc1ccc(Nc2cc(=O)n(C)c(=O)[nH]2)cc1,CI,0
O=[N+]([O-])c1ccc(N(CCCl)CCCl)s1,CI,0
CCN(CC)C1=[S+][Co-4]23(Nc4ccc(N(CCCl)CCCl)cc4N2)([S+]=C(N(CC)CC)[SH+]3)[SH+]1.[O-][Cl+3]([O-])([O-])[O-],CI,0
CC(=O)NC1C(OC(C)C(=O)NC(C(=O)NC(CCC(=O)NCCCNC2c3ccccc3Nc3cccc([N+](=O)[O-])c32)C(N)=O)C(C)C)C(O)C(CO)OC1(C)OCc1ccccc1,CI,0
CC(=O)NC1C(OCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(N)=O)C(O)C(CO)OC1(C)OCc1ccccc1,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1CCCN1C(=O)c2cccc3cccc(c23)C1=O,CI,0
Nc1cc(O)nc([S-])n1.[Cl-].[Pt],CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)NC2=O)cc1)OC(C)=O,CI,0
O=C1c2ccccc2-c2nc(-c3ccccc3)cc3c2c1nc1ccccc13,CI,0
CCN(CC)CCC(=O)c1ccc(Oc2ccc(C)cc2)cc1.Cl,CI,0
CCN(CC)CCC(=O)c1ccc(Oc2ccccc2)cc1.Cl,CI,0
O=C(NCCNCCNC(=O)C(F)(F)F)C(F)(F)F.O=C(O)C(F)(F)F,CI,0
O=C1CCOc2cc(ccc2O)CCN1,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)OC(C)(C)C)c5)c5cc(Cl)c(O)c(C(=O)OC(C)(C)C)c5)CCC4(C)C3CCC12C,CI,0
c1ccc(C2SCc3nc4cc5ccccc5cc4n32)cc1,CI,0
CC(=O)O.Cc1ccc(C2=Nc3c(N)nc(N)nc3NC(c3ccccc3)C2)cc1,CI,0
Nc1ncnc2c1N=C(c1ccccc1)CC(c1ccccc1)N2,CI,0
N#Cc1nc(C2CC2)oc1N,CI,0
Cc1cc2c(c(C(=O)NCCC(=O)O)c1)Oc1c(cc(C)cc1C(=O)NCCC(=O)O)S2,CI,0
COC(=O)CNC(=O)c1cc(C)cc2c1Oc1c(cc(C)cc1C(=O)NCC(=O)OC)S2,CI,0
Cc1ccsc1C=NNc1ccccn1,CI,0
Cc1ccsc1C=NNc1cnccn1,CI,0
Cc1ccc(C=NNc2ccccn2)s1,CI,0
Cc1ccc(C=NNc2cnccn2)s1,CI,0
COC(=O)C=C(C)n1nc2ccccc2n1,CI,0
CCn1c(=O)ccc2ccc(N(CCO)CCO)nc21,CI,0
Cc1ccc(C=c2c(=O)[nH]c3nc4ccccc4c(=O)n23)cc1,CI,0
NC1=C(N2CCCCC2)C(=O)NC2=NC(=Cc3ccco3)C(=O)N21,CI,0
NNC1=NC(=Cc2ccco2)C(Cl)=N1,CI,0
NCCCCC(N)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CCCCN)c2c1C(=O)c1ccccc1C2=O,CI,0
O=C(OCc1ccccc1)C1OC1C(=O)OCc1ccccc1,CI,0
CS(=O)(=O)N1CC(CCl)c2ccc(SSc3ccc4c(c3)N(S(C)(=O)=O)CC4CCl)cc21,CI,0
CS(=O)(=O)N1CC(CCl)c2ccc(S)cc21,CI,0
O=c1ccn(-c2ccccn2)c(=O)n1-c1ccccn1,CI,0
CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6cc(NC(=O)c7cc(NC(=O)c8nccn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C.O=C(O)C(F)(F)F,CM,1
CCOC(=O)C1(C)CC(O)C(=O)N1C,CI,0
CN1C(=O)C(O)CC1c1ccccc1,CI,0
CCOC(=O)C1CC(O)C(=O)N1C,CI,0
Cc1ccc(S(=O)(=O)NNCNC(=O)c2ccccc2)cc1,CI,0
Cc1ccnc(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)c1,CI,0
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1cc(C)on1)C(F)(F)F,CI,0
COc1cccc(N(CN2CC=CC2=O)C(C)=O)c1,CI,0
CC(=O)N1CN2C(=O)CCC2c2ccccc21,CI,0
COc1ccc(OC)c2c1C1CCC(=O)N1CN2C(C)=O,CI,0
COc1ccc2c(c1)N(C(C)=O)CN1C(=O)CCC21,CI,0
CC(=O)N1CN2C(=O)CCC2c2cc(C)ccc21,CI,0
O=C1CCC2c3ccccc3NCN12,CI,0
O=S(=O)(O)NCC1OC2OC3C(CNS(=O)(=O)O)OC(OC4C(CNS(=O)(=O)O)OC(OC5C(CNS(=O)(=O)O)OC(OC6C(CNS(=O)(=O)O)OC(OC7C(CNS(=O)(=O)O)OC(OC8C(CNS(=O)(=O)O)OC(OC1C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O,CI,0
CC(CCCN1CCN(C)CC1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.Cl,CI,0
N#CCc1nc(-c2cc3ccc(O)cc3oc2=O)cs1,CI,0
Cc1nc(-c2cc3ccccc3oc2=O)cs1,CI,0
CN(C)c1ccc(-c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1,CI,0
N=c1oc2ccc(Cl)cc2cc1C(=O)NCc1ccccc1,CI,0
COc1ccc2oc(=N)c(C(=O)Nc3ccccc3)cc2c1,CI,0
CCN(CC)c1ccc2cc(C(=O)NCc3ccccc3)c(=N)oc2c1,CI,0
COc1c(OC(C)C)c(OC(C)C)c2oc(=O)n3c2c1C(c1ccccc1-n1c(C)ccc1C)C=C3,CI,0
CC(=O)Oc1c(OC(C)C)cc(=O)n2ccsc12,CI,0
COc1ccccc1C(=O)c1c(N2CCCCC2)c(=O)c1=O,CM,1
O=C(c1ccccc1)C1C(c2ccccc2)N1S(=O)(=O)c1ccccc1,CI,0
Cc1c(NC(=O)CSC(=S)N(C)C)c(=O)n(-c2ccccc2)n1C,CI,0
C=C(C)c1nc(C#N)c(N)o1,CI,0
CC1=[O+][Co-4]23(NCCN2CCNC(=O)c2cccc4nc5ccccc5nc24)([O+]=C(C)[C-]1C)[O+]=C(C)[C-](C)C(C)=[O+]3.[Cl-],CI,0
CS(=O)(=O)N1CC(CCl)c2ccc(NO)cc21,CI,0
CC(=NN=Cc1ccccn1)C(C)=NN=Cc1ccccn1,CI,0
CC(=NN)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN,CI,0
CC(=O)NCc1nc(C#N)c(N)o1,CI,0
CC(CCc1nc(C#N)c(N)o1)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,CI,0
CC(=O)c1nc(C#N)c(N)o1,CI,0
CC(=O)OCCOCN1C(=O)CC(=O)NC1=O,CI,0
CC(=O)NCC1OC2COC(c3ccccc3)OC2C2N=C(c3ccccc3)OC12,CI,0
NC(Cc1ccccc1)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1,CI,0
Cc1nc2c(O)nc3ccccc3c2o1,CI,0
O=C(CCc1ccccc1)ON1C(=S)NC(c2ccccc2)(c2ccccc2)C1=S,CI,0
O=c1[nH]c(=O)n(C2OC(CO)C(O)C(F)C2O)cc1F,CM,1
Cc1nn(C2OC(CO)C(O)C(F)C2O)c(=O)[nH]c1=O,CI,0
Cc1cc2oc(=N)c(C#N)c(C)c2cc1C,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(F)cc1,CI,0
O=C(O)c1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)O)cc1,CI,0
CN1CCCCC1c1ccc(-c2cccnc2)nc1.Cl,CI,0
COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=NO)c2O)c(C)c1O,CI,0
CC(=O)c1c2n(n(-c3ccccc3)c1=O)C(=O)c1nccnc1-2,CI,0
CC(=O)O.CC(=O)OC(=C(C#N)C#N)c1nccnc1C(C)=O,CI,0
CC(=O)OC(=C(C#N)C#N)c1nccnc1C(=O)O,CI,0
N#CC1(C#N)C(=O)c2ccncc2C1=O,CI,0
CCOC(=O)C1(C#N)OC(=O)c2cnccc21,CI,0
N#CC1C(=O)N(c2ccccc2)NC12OC(=O)c1ccncc12,CI,0
Nc1nc(Cl)cc(Nc2ccc3c(c2)CCC3)n1,CI,0
COc1ccc(C2=C(N)c3c(Cl)cccc3C2=O)cc1,CI,0
c1cc2cc(Cc3ccc4[nH]ccc4c3)ccc2[nH]1,CI,0
CCCN1C(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O,CI,0
CC(C)(C)OC(=O)N(CCCN)CCCCN,CI,0
CC(C)(C)OC(=O)N(CCCCNC(=O)c1ccccc1)CCCNC(=O)c1ccccc1,CI,0
CCOC(=O)CSc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1,CI,0
CC(=O)OCC1OC(Sc2nc(-c3ccccc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(-c2nc(SC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=O)c2C#N)cc1,CI,0
CC(=O)OCC1OC(Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
N#Cc1c(-c2ccc(Cl)cc2)[nH]c(=O)n(C2OC(CO)C(O)C(O)C2O)c1=O,CI,0
CCOC(=O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1,CI,0
O=C(O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1)C(=O)OCC,CI,0
O=C(O)CCC(NC(=O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1)C(=O)O,CI,0
CN1CC=C(OP(=O)(NCc2ccccc2)N(CCCl)CCCl)CC1.O=C(O)C(=O)O,CI,0
CN(C(=O)CCC(=O)O)c1ccccc1C(=O)O,CI,0
[N-]=[N+]=N[IH2]1OC(C(F)(F)F)(C(F)(F)F)c2ccccc21,CI,0
COC(=O)c1ccc(NCC2=C(Br)C(=O)C=CC2=O)cc1Cl,CI,0
CC(CCC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCc4nc5ccccc5[nH]4)CCC32)C1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CI,0
COC(=O)CCCC(=O)C(=NNc1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl,CI,0
COc1ccc(-c2nc(N3CCCC3)no2)cc1,CI,0
O=c1onc2c3ccccc3ncn12,CI,0
CC(C=O)=NNc1cc(C)c2ccccc2n1,CI,0
COc1ccc2nc(NN=CC(C)=NNc3cc(C)c4cc(OC)ccc4n3)cc(C)c2c1,CI,0
COc1ccc2[nH]cc(C(=O)C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1,CI,0
CN(C)N=Cc1cn(C)c(=O)n(C)c1=O,CI,0
O=C(Nc1ccccc1C(=O)NCc1ccccc1)C(=Cc1ccccc1O)NC(=O)c1ccccc1,CI,0
O=C(O)CCC(NC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O,CI,0
O=C(O)CC1NC(C(=Cc2ccccc2)NC(=O)c2ccccc2)OC1=O,CI,0
Nc1ccc2c3c1cccc3c(=O)n1c3ccc(Cc4ccc5c(c4)nc4c6ccc(N)c7cccc(c(=O)n54)c76)cc3nc21,CI,0
CCOC(=O)NC(=S)N(C)P(=S)(OCC)N(C)C(=S)NC(=O)OCC,CI,0
C(#CP(c1ccccc1)c1ccccc1)P(C#CP(c1ccccc1)c1ccccc1)c1ccccc1,CI,0
CC(CO)C1=C(O)C(=O)c2c(ccc3c2CCCC3(C)C)C1=O,CI,0
CC(C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)cc2c(c1O)CCC1C(C)(C)CCCC21C,CI,0
CN1C(=O)C(O)CC1c1ccccc1F,CI,0
CN1C(=O)C(O)CC1c1cccc(F)c1,CI,0
CN1C(=O)C(O)CC1c1ccccc1C(F)(F)F,CI,0
CN1C(=O)C(O)CC1c1cccc(C(F)(F)F)c1,CI,0
Cl.O=C(NCCc1ccccn1)c1ccc2cc(C(=O)N3CC(CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c1,CI,0
O=c1oc2cc(O)ccc2c(O)c1C(c1ccc2ccccc2c1)c1c(O)c2ccc(O)cc2oc1=O,CI,0
O=C(CCc1ccc(O)c(O)c1)NCCc1cc(O)cc(O)c1,CI,0
COc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccccc1)=N2,CI,0
CSc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccccc1)=N2,CI,0
COc1nc2c(c(=O)n1C)N=C(c1ccc(Cl)cc1)CC(c1ccccc1)N2,CI,0
CSc1nc2c(c(=O)n1C)N=C(c1ccc(Cl)cc1)CC(c1ccccc1)N2,CI,0
COc1ccc(C2=Nc3c(O)nc(OC)nc3NC(c3ccccc3)C2)cc1,CI,0
COc1ccc(C2=Nc3c(O)nc(SC)nc3NC(c3ccccc3)C2)cc1,CI,0
CSc1nc2c(c(=O)n1C)N=C(c1ccc([N+](=O)[O-])cc1)CC(c1ccccc1)N2,CI,0
NNC(=O)c1c(SCc2ccccc2)nc2c3ccccc3ccn12,CI,0
CCOC(=O)c1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2c3ccccc3ccn12,CI,0
CCOC(=O)c1nnsc1NN,CI,0
COc1cc2c(cc1OC)CN1CCc3ccccc3CC1C2,CI,0
COc1cc2c(cc1OC)CC(=O)c1cc(OC)c(OC)cc1C=C2,CI,0
COc1cc2c(cc1OC)CCc1cc(OC)c(OC)cc1CC2,CI,0
CC(C)NC(=O)N(Nc1ccccc1)C(C)(C)C,CI,0
CC(C)n1c(=O)[nH]n(-c2ccccc2)c1=O,CI,0
O=c1onc(Nc2ccccc2)n1-c1ccccc1,CI,0
CCOC(=O)N(NC(=O)NC(C)C)c1ccccc1,CI,0
COc1cc2c(cc1O)C1C(O2)c2cc3c(cc2OC1(C)C)OC(C)(C)CC3,CI,0
CC1(C)CCc2cc3c(cc2O1)OCC1c2cc(O)c(OCc4ccccc4)cc2OC31,CI,0
CCc1c(O)cc(=O)oc1-c1ccc(OC)c(OC)c1,CI,0
CCc1nnc(CC)n1NCCCC(=O)O,CI,0
S=C(Nc1ccc2c(c1)oc1ccccc12)c1cccs1,CI,0
O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1,CI,0
Cc1c(C(=O)NNc2ccccc2)n2c(=S)[nH]nc2c2ccccc12,CI,0
Cc1cc(C)c(P2C(=C(O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C2(c2ccccc2)c2ccccc2)c(C)c1,CI,0
CCOC(=O)c1[nH]cc(C)c1-c1c[nH]c2ccccc12,CI,0
CCOC(=O)c1[nH]cc(C)c1-c1ccn(-c2ccccc2)c1,CI,0
c1ccc(C(NCC2CCO2)(c2ccccc2)c2ccccc2)cc1,CI,0
CSc1[nH][nH]c(=N)c1C(=O)Nc1ccc(C)cc1,CI,0
CC(C)(C)c1cc(-c2cc(C(C)(C)C)n(-c3ccccc3)n2)nn1-c1ccccc1,CI,0
CC(=O)OC12C3C4C1C1C2C3C41OC(C)=O,CI,0
N#C[IH2]1OC(=O)c2ccccc21,CI,0
CCOCCOCCOCc1nc(C#N)c(N)o1,CI,0
N#Cc1nc(C(CO)N(Cc2ccccc2)C(=O)O)oc1N,CI,0
N#Cc1nc(COCCOCc2ccc(F)cc2)oc1N,CI,0
O=C(CNc1ccccn1)Nn1cnc2ccc(S(=O)(=O)Nc3ccccn3)cc2c1=O,CI,0
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nn1cnc2ccc(S(=O)(=O)Nc3ccccc3C(=O)O)cc2c1=O,CI,0
O=C(c1ccco1)C1CC(c2ccc3ccccc3c2O)=NN1,CI,0
CC(=O)N1N=C(c2ccc3ccccc3c2O)CC1C(=O)c1ccco1,CI,0
COc1ccc(C2SCC(=O)N2NC2=NC(=O)CC(=O)N2)cc1,CI,0
Oc1nc(-c2ccccc2)nc2c1sc1nc3ccccc3n12,CI,0
Cc1ccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1C,CI,0
O=c1[nH]c(=O)n(COCCO)c2ccc(Br)cc12,CI,0
O=[N+]([O-])c1nc(Br)n(F)c1[N+](=O)[O-],CI,0
CN(C)c1cc(CNCCc2c[nH]cn2)nc(CNCCc2c[nH]cn2)c1,CI,0
CN(C)CCCNCc1cc(N(C)C)cc(CNCCCN(C)C)n1,CI,0
CN(C)c1cc(CNCCS)nc(CNCCS)c1.Cl,CI,0
CN(C)c1cc(CN(CCSS(=O)c2ccccc2[N+](=O)[O-])S(=O)c2ccccc2[N+](=O)[O-])nc(CN(CCSS(=O)c2ccccc2[N+](=O)[O-])S(=O)c2ccccc2[N+](=O)[O-])c1,CI,0
COC(=O)C(CCSC)NCc1cc(N(C)C)cc(CNC(CCSC)C(=O)OC)n1,CI,0
CC1=CC(=O)c2c(O)cccc2C1=O,CI,0
CCCCC1=NNC(=O)C1,CI,0
O=c1c2c3c(sc2nc2n1N=CN(c1ccc(F)cc1)C2)CCCC3,CI,0
Cc1sc2nc3n(c(=O)c2c1C)N=CN(c1ccccc1)C3,CI,0
COc1ccc(N2C=Nn3c(nc4sc(C)c(C)c4c3=O)C2)cc1,CI,0
Cc1sc2nc3n(c(=O)c2c1C)N=CN(c1ccc(Cl)cc1)C3,CI,0
Cc1ccc(S(=O)(=O)c2[nH]cc(-c3c[nH]c(S(=O)(=O)c4ccc(C)cc4)c3C3CCCCC3)c2C2CCCCC2)cc1,CI,0
CCOC(=O)C1=[N+]([O-])OC2=C(O)CCCC21,CI,0
CC(C(=O)ON1C(=O)CCC1=O)c1ccc(C(=O)c2ccccc2)s1,CI,0
Cc1cc(NCC(O)C(O)C(O)CO)c(Sc2cc(O)nc(O)n2)cc1C,CI,0
CC1C=C2C3CC(C)(C(=O)O)CCC3(C)CCC2(C)C2(C)CCC3C(C)(C)C(OC(=O)c4cccc5c(=O)c6ccccc6[nH]c45)CCC3(C)C12,CI,0
CC1C(OCc2ccccc2)COC(=O)N1Cc1ccccc1,CI,0
O=C1C(=Cc2cccs2)NC(=S)N1CN1CCCC(CO)C1,CI,0
O=C1C(=Cc2ccccc2)NC(=S)N1CN1CCOCC1,CI,0
COc1ccc(C=C2NC(=S)N(CN3CCOCC3)C2=O)cc1,CI,0
Cc1ccc(C=C2NC(=S)N(CN3CCOCC3)C2=O)cc1,CI,0
O=C1C(=Cc2cccs2)NC(=S)N1CN1CCOCC1,CI,0
CCCC1OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N1O,CM,1
CSc1ncc2c(C#N)c3[nH]c4ccccc4n3c(=O)c2n1,CI,0
COC(=O)C(C1CCC(OCc2ccccc2)C1(O)COCc1ccccc1)C(C)(O)CCc1ccccc1,CI,0
CC12CC(=O)C3C(C(=O)C1)C32C,CI,0
COC(=O)C=CCOCC1C2CCC(=O)C21,CI,0
CC1(C=CCCSc2ccccc2)CC(=O)C2CC1C2(C)C,CI,0
O=C(NCC(O)COc1ccccc1)c1ccccc1O,CI,0
CC(=NNC(=S)N(Cc1ccccn1)Cc1ccccn1)c1cnccn1,CI,0
Br.CC12CC(c3ccccc3O1)N1CCSC1=N2,CI,0
Br.CC12CC(c3ccccc3O1)N1CCCSC1=N2,CI,0
CCN(CC)C1C(=O)NC1C#Cc1ccccc1,CI,0
c1ccc2c(c1)sc1nccc3ccnc2c31,CI,0
CC(C)C(=O)NCCC(CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,CI,0
NC(=O)c1ncn2c1CNC(=O)C2,CI,0
CCOc1ccc(C(=O)C=C2Nc3ccccc3NC2=CC(=O)c2ccc(OCC)cc2)cc1,CI,0
CNc1ncnc2c1cnn2CCCCO,CI,0
O=C(c1ccco1)N1CCCN(C(=O)c2ccco2)C1=S,CI,0
O=C(c1ccco1)N(C(=S)OCc1ccccn1)c1ccccc1,CI,0
CN1CCc2c(sc3nc(Nc4ccccc4)n(N)c(=O)c23)C1,CI,0
Cc1ccc(Cl)c2c(=O)c3ccc([N+](=O)[O-])cc3sc12,CI,0
OCC1(C(F)(F)F)OC(n2cnc3c(O)ncnc32)CC1O,CI,0
Br.C(=Cc1ccc(-c2cn3cc(C=CC=NNC4=NCCCN4)ccc3n2)cc1)C=NNC1=NCCCN1,CI,0
Cl.N=C(C=Cc1ccc(-c2cn3cc(C=CC(=N)N4CCCC4)ccc3n2)cc1)N1CCCC1,CM,1
COc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)CCC4)cc1,CI,0
N=c1[nH]n2cc3c(nc2c1N=Nc1ccccc1)CCCCC3,CI,0
N=c1[nH]n2cc3c(nc2c1N=Nc1ccc(Cl)cc1)CCCCC3,CI,0
Cc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)CCCCC4)cc1,CI,0
O=C1c2cccnc2S(=O)(=O)N1c1ccc(Br)cc1,CI,0
CC(=O)C(=NNc1ccc(Cl)cc1)C(C)=Nc1ccc(C)cc1,CI,0
CN(C)C=Cc1ccncc1,CI,0
CSc1nncc2[nH]cnc12,CI,0
O=C(CN1CCN(c2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1,CI,0
O=C(CN1CCCCC1)c1ccc2[nH]c(=O)oc2c1,CI,0
O=c1[nH]c2ccc(CC(=S)N3CCCCC3)cc2s1,CI,0
O=c1[nH]c2ccc(CC(=S)N3CCN(c4ccccc4)CC3)cc2s1,CM,1
COc1cc(C=C2CCC(C)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC,CI,0
CC1CCC(=Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(F)cc1,CI,0
COc1ccc(C=C2CCC(C)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1OC,CI,0
CC1CCC(=Cc2ccc(N(C)C)cc2)C(=O)C1=Cc1ccc(N(C)C)cc1,CI,0
COC(=O)C1CC([Se]c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C2=NC(CCC(=O)O)C(=O)O2)cc1,CI,0
CCSC1=NC(=Cc2ccccc2O)C(=O)N1,CI,0
COC(=O)C(C)Sc1nc2cc(Cl)ccc2s1,CI,0
Cc1cc(C)n(-c2nc(O)c3ccccc3n2)n1,CI,0
CC(=O)C(=NNc1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C(C)=O,CI,0
CC(=O)C(=NNc1ccc(-n2c(C)nc3ccc(Br)cc3c2=O)cc1)C(C)=O,CI,0
CCOC(=O)C(=NNc1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C(C)=O,CI,0
CCOC(=O)C(=NNc1ccc(-n2c(C)nc3ccc(Br)cc3c2=O)cc1)C(C)=O,CI,0
CCOC(=O)C(C#N)=NNc1ccc(-n2c(C)nc3ccccc3c2=O)cc1,CI,0
CC(C)Nc1n[nH]c(=O)n1C(C)C,CI,0
COc1ccc(-n2c(=O)n(C)c(=O)n2-c2ccc(OC)cc2)cc1,CI,0
COc1ccc(-n2[nH]c(=O)n(C)c2=O)cc1,CI,0
CC(=O)Nc1ccc(-n2[nH]c(=O)n(C)c2=O)cc1,CI,0
COc1ccc(-c2c(-c3ccc(OC)cc3)n3c(=O)n(C)c(=O)n23)cc1,CI,0
O=C1N(C2CCCCC2)C(=O)N1C1CCCCC1,CI,0
N#CCc1nc(C#N)c(N)o1,CM,1
CN(C)CCON=C1C=C2CCC3C(CCC4(C)C(O)CCC34)C2(C)CC1,CI,0
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc([N+](=O)[O-])s4)c3nc12.[Cl-],CI,0
N#CC(C#N)=C1CCCS(=O)(=O)c2ccccc21,CI,0
COc1cc(-c2nc(N)c(C#N)c3c2CCS(=O)(=O)c2ccc(C)cc2-3)cc(OC)c1OC,CI,0
Cn1c(=O)n2n(c1=O)Cc1cccc3cccc(c13)C2,CI,0
CC(C)(C)n1c(=O)n2c(-c3ccccc3)c(-c3ccccc3)n2c1=O,CI,0
CC(C)(C)N1C(=O)[N-][N+](=C(C(c2ccccc2)=[N+]2[N-]C(=O)N(C(C)(C)C)C2=O)c2ccccc2)C1=O,CI,0
Cc1cc(C)c(-n2[nH]c(=O)n(C)c2=O)c(C)c1,CI,0
COC(=O)N1N=C(c2ccccc2)C1c1ccccc1,CI,0
CC(C)(C)n1c(=O)[nH]n(C2NN=Cc3cccc4cccc2c34)c1=O,CI,0
Cc1c(C)c(C)c(-n2c(=O)n(C)c(=O)n2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(C)c1C,CI,0
CN=C(n1ccnc1)n1ccnc1,CI,0
Cc1ccc(NC(=O)c2ccccc2)c(=O)o1,CI,0
Cc1cc(C)c(NC(=O)c2ccccc2)c(=O)o1,CI,0
Cn1ccc(C(=O)N2CCSC2=S)c(OCc2ccccc2)c1=O,CI,0
O=C(c1cccc(OCc2ccccc2)c1OCc1ccccc1)N1CCSC1=S,CI,0
O=C(NCCCN(CCCCN(CCCNC(=O)c1cc(S(=O)(=O)O)cc(O)c1O)C(=O)c1cc(S(=O)(=O)O)cc(O)c1O)C(=O)c1cc(S(=O)(=O)O)cc(O)c1O)c1cc(S(=O)(=O)O)cc(O)c1O,CI,0
COc1nc(N(C)C)nc2c1n(C)c[n+]2C.[Cl-],CI,0
CNc1nc(OC)c2c(n1)[n+](C)cn2C.[Cl-],CI,0
COc1nc(N)nc2c1n(C)c[n+]2C.[Cl-],CI,0
COc1ccc(N=C(CS(=O)c2ccc(C)cc2)C(F)(F)F)cc1,CI,0
O=C(Nc1cc2c(=O)oc3ccccc3c2oc1=O)c1cccnc1,CI,0
COc1nc2sc3c(c2c(=O)n1CCCSSCCCn1c(OC)nc2sc4c(c2c1=O)CCCC4)CCCC3,CI,0
CC1=NNC(=O)C1C(CC(=O)c1c[nH]c2ccccc12)C(=O)O,CI,0
CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NN(c2ccccc2)C1=O,CI,0
CC1=NNC(=O)C1C(CC(=NO)c1c[nH]c2ccccc12)C(=O)O,CI,0
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)n(CCCN(C)C)c(=S)n4CCCN(C)C.Cl,CI,0
CN(C)CCn1c(=O)n(CCN(C)C)c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c32.Cl,CI,0
Br.CC1CCCCN1CC(=O)c1ccc2c(c1)Sc1ccccc1O2,CI,0
S=C(Cc1ccc2c(c1)Sc1ccccc1O2)N1CCOCC1,CI,0
CSC(Cc1ccc2c(c1)Sc1ccccc1O2)=[N+]1CCOCC1.[I-],CI,0
Fc1ccccc1C=[N+]1N=C(c2ccncc2)[OH+][Cu-3]12[OH+]C(c1ccncc1)=N[N+]2=Cc1ccccc1F,CI,0
Fc1cccc(C=[N+]2N=C(c3ccncc3)[OH+][Cu-3]23[OH+]C(c2ccncc2)=N[N+]3=Cc2cccc(F)c2)c1,CI,0
FC(F)(F)c1cccc(C=[N+]2N=C(c3ccncc3)[OH+][Cu-3]23[OH+]C(c2ccncc2)=N[N+]3=Cc2cccc(C(F)(F)F)c2)c1,CI,0
FC(F)(F)c1cccc(C=[N+]2N=C(c3ccncc3)[OH+][Ni-2]23[OH+]C(c2ccncc2)=N[N+]3=Cc2cccc(C(F)(F)F)c2)c1,CI,0
CCCCCCCCCCCCCCCCCCOP1(=O)OCCO1,CI,0
O=C(c1ccccc1)n1cc(-c2ccccc2)c2c(O)ncnc21,CI,0
CCOC=Nc1[nH]c(C)c(Cc2ccccc2)c1C#N,CI,0
Nc1ccccc1C(=O)NNC(=O)c1ccccc1O,CI,0
N=c1[nH][nH]c2c(C(=O)Nc3ccc(Cl)cc3)c(N)nc(S)c12,CI,0
CSc1c(C#N)c(=O)n(N)c2c1c(C)nn2-c1ccccc1,CI,0
CSc1[nH][nH]c(=N)c1C(=O)Nc1ccccc1,CI,0
CC1(C)C=Cc2c(cc3oc4ccc5c(c4c(=O)c3c2O)C=CC(C)(C)O5)O1,CI,0
O=C(Nc1cnc(O)nc1O)c1ccc(S(=O)(=O)F)cc1,CI,0
COC(=O)C(Cc1c(-c2[nH]c3ccccc3c2CC(NC(C)=O)C(=O)OC)[nH]c2ccccc12)NC(C)=O,CI,0
COC(=O)C1Cc2c([nH]c3ccccc23)-c2[nH]c3ccccc3c2CC(NC(C)=O)C(=O)N2CCCC2C(=O)N1,CI,0
COc1ccc(C2C3COC(=O)C3C(C#N)=C3Sc4ccccc4N32)cc1,CI,0
CC(C)(C)C#C[IH2]1OC(=O)c2ccccc21,CI,0
Br.NC1=CN2c3ccccc3N(CC(=O)O)C2C=C1,CI,0
CC(=C(C(=O)O)C(=O)O)c1cc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1O,CI,0
CCOC(=O)C(=O)CC(=O)C1=C(c2ccccc2OC)CC(c2cccs2)=CC1=O,CI,0
CCOC(=O)C1=C(C)C2C=C(c3cccs3)CC(c3ccc(Cl)cc3)=C2OC1=O,CI,0
Brc1ccc(C(N=NC(=NSc2ccccc2)c2ccc(Br)cc2)=NSc2ccccc2)cc1,CI,0
CC(=O)OC1CCC2(C)C(=CCC3C4Cc5cnn(-c6ccc(F)cc6)c5NC4(C)CCC32)C1,CI,0
CCCCCCOc1ccc(C(=O)NOCc2ccccc2)cc1,CI,0
CNc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC1CO,CI,0
COC(=O)C1CC(O)CN1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CNc1cc(N)ccc1C(=O)N1CCCC1CO,CI,0
Cn1c2ccccc2n2c3ccccc3c(=S)c(C#N)c12,CI,0
CSc1c(C#N)c2n(c3ccccc13)c1ccccc1[n+]2C.Cc1ccc(S(=O)(=O)[O-])cc1,CI,0
O=[N+]([O-])c1ccc2nc3ccc([N+](=O)[O-])cn3c2c1,CI,0
NC1=CN2c3ccccc3N(CC(=O)N3CCOCC3)C2C=C1,CI,0
CCOC(=O)c1c(C)nn2c1ccc1ccccc12,CI,0
Cc1cn(C2OC(CO)C(CC(N)=O)C2O)c(=O)[nH]c1=O,CI,0
CCc1c(Cc2ccccc2)n(COCCO)c(=O)[nH]c1=O,CA,1
CN(C)CCn1c(=O)c2ccc(NCCNCCO)c3c(=O)c4cc(O)ccc4n(c1=O)c23,CI,0
CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(-c4c5c(nc6ccc7ccccc7c46)CC(C)(C)CC5=O)cc3)cc2)C1,CI,0
O=[N+]([O-])C(=Cc1cccs1)C(=Cc1cccs1)[N+](=O)[O-],CI,0
COc1ccc(C=C(C(=Cc2ccc(OC)cc2)[N+](=O)[O-])[N+](=O)[O-])cc1,CI,0
CCC(C)C(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(N)CC(=O)NC1OC(CO)C(O)C(O)C1NC(C)=O)C(C)O)C(C)CC)C(C)CC)C(C)C)C(C)O)C(C)CC)C(=O)NCC(N)=O,CI,0
CCOC(=O)C12C3C=CC(CC3)C1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1,CI,0
CC(=O)OCC1OC(OCC2OC(N3C(=S)NC(C(O)C(O)C(O)CO)C3O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)c1cc2sc3ccccc3c2[nH]1,CI,0
CC1OC(=O)C2N=NN(Cc3ccccc3)C12,CI,0
CCOC1=NC(O)c2cccn2-c2sccc21,CI,0
CNC1=Nc2ccccc2C(=S)N2CSCC12,CI,0
CC1(C)OC(CO)C(C(O)C(O)C2SCCCS2)O1,CI,0
COC(=O)C(C)(C)OCc1ccc(C2NC(=O)N(c3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1,CI,0
COC(=O)N1CC2C3C4CC(C(c5ccccc5)=C4c4ccccc4)C3C21,CI,0
COc1cc2c(cc1OC)C1C=NC(C2)c2cc(OC)c(OC)cc21,CI,0
CC12CCC(C(=O)OC1=O)C(C)(C)O2,CI,0
CC12CCC(C(=O)O1)C(C)(C)O2,CI,0
CCOC(=O)NC1CS(=O)(=O)CC1Cl,CI,0
CC=C1CC(C(=O)OC)N(C(=O)OCc2ccccc2)C1=S,CI,0
Fc1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1,CI,0
Cc1c2c(n(CCc3ccc(Cl)cc3)c1C)NC(c1ccccc1)C(C#N)S2(=O)=O,CI,0
Cc1ccc(S(=O)(=O)c2ccsc2NC(=O)C(F)(F)F)cc1,CI,0
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2,CI,0
O=C(O)C12C3C4(C(=O)O)C1C1(C(=O)O)C2C3(C(=O)O)C41,CI,0
CCOC(=O)C1C(c2ccc(OC)cc2)c2c(n[nH]c2O)CC1(C)O,CI,0
CCOC(=O)C1C(c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)CC1(O)OCC,CI,0
CCOC(=O)C1C(c2ccc(O)c(OC)c2)c2c(n[nH]c2O)CC1(C)O,CI,0
C=CCOc1ccc(C2c3c(n[nH]c3O)CC(C)(O)C2C(=O)OC)cc1OC,CI,0
CCCCCC=C(c1ccc(OC)c(C(=O)OC)c1)c1ccc(OC)c(C(=O)OC)c1,CI,0
c1ccc(Cc2cccc3cc(-c4ccc(-c5ccccc5)cc4)[nH]c23)cc1,CI,0
CCOC(=O)c1ccc(-c2onc(C)c2Br)[nH]1,CI,0
CCc1c(Cc2cc(C)cc(C)c2)n(COCCC[Se]c2ccccc2)c(=O)[nH]c1=O,CA,1
Cc1c(Cc2ccccc2)n(COCCCO)c(=O)[nH]c1=O,CM,1
CSC1C(=O)Nc2ccc3ccccc3c21,CI,0
CCOCc1c(C)cc(C)c(C2C(C(=O)c3ccccc3)N3c4ccccc4C=CC3C2(C#N)C(=O)OCC)c1C,CI,0
C[n+]1c2ccccc2n2c3ccccc3c(NCCc3ccccn3)c(C#N)c21.Cc1ccc(S(=O)(=O)[O-])cc1,CI,0
Cc1ccc(S(=O)(=O)O)cc1.Cn1c2ccccc2n2c3ccccc3c3n[nH]c(=N)c-3c12,CI,0
COc1cccc(CCNc2c(C#N)c3n(c4ccccc4[n+]3C)c3ncccc23)c1.Cc1ccc(S(=O)(=O)[O-])cc1,CI,0
COc1cccc(CCn2c(N)c(C(=O)O)c3ccc([N+](=O)[O-])cc3c2=O)c1,CI,0
CC1(C)CC(=O)c2c(nc3c(ccc4ccccc43)c2-c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(-c4c5c(nc6c4ccc4ccccc46)CC(C)(C)CC5=O)cc3)cc2)C1,CI,0
CC(C)(Oc1ccc(C2CC2Cl)cc1)C(=O)O,CI,0
C=CCOC(OCC=C)C(Br)=CC,CI,0
COC(CC(=CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)Nc1ccccc1I)OC,CI,0
CN1C(=O)C(CC=O)(C(C)(C)C)c2ccccc21,CI,0
COC(CC(=CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(C(=O)OC(C)(C)C)c1ccccc1I)OC,CI,0
COC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1,CI,0
COc1nc(O)c2nc(C(OC(C)=O)C(COC(C)=O)OC(C)=O)cnc2n1,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)N(CCNCCNC(=O)OC(C)(C)C)c1ccccc1,CI,0
N#CCCN(CCCCN(CCC#N)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1,CI,0
Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(CN(O)C(N)=O)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(ONC(N)=O)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
CCOC(=O)N1CC2(C)C=CC1C(C(=O)OC)C2,CI,0
COC(=O)C1CC2(C)C=CC1N(C(=O)OCc1ccccc1)C2,CI,0
C=CCN(c1cc(OC)c2[nH]c(C(=O)O)c(C)c2c1[N+](=O)[O-])S(C)(=O)=O,CI,0
COc1ccc2[nH]c(C(O)(Cc3cccnc3)Cc3cccnc3)cc2c1,CI,0
O=C(NNC(=O)c1ccccc1Cl)c1ccccc1O,CI,0
CC(C)[Si](OC12CCC(CC1O)CC2CO)(C(C)C)C(C)C,CI,0
O=C1C=CCC2OC(COC(=O)Cc3ccccc3)CC2O1,CI,0
CCOC(=O)c1c(C)nc2c3ccccc3c(C#N)c(C)n12,CI,0
Cc1c(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2ccccc2)c(=O)n(-c2ccccc2)n1C,CI,0
COC(=O)c1c(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)c1C(=O)OC,CI,0
CC(=O)NCCC1CNc2ccccc21,CI,0
CCN(CC)CCOC(=O)c1cc2ccccc2[nH]1.Cl,CI,0
CCN(CC)CCOC(=O)c1cc2ccccc2n1-c1ccccc1.Cl,CI,0
O=c1[nH]c(=O)n(Cc2ccccc2)cc1B(O)O,CI,0
COCC[N+](CCNC(=O)c1cccc2c(N)c3cccc(C)c3nc12)(CCOC)Cc1ccc([N+](=O)[O-])cc1.Cl.[Cl-],CI,0
C1=NCCNCCN=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2,CI,0
C1=Nc2ccc(cc2)-c2ccc(cc2)N=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2,CI,0
C1=NCCNCCNCCN=Cc2ccccc2OCc2cccc(n2)COc2ccccc21,CI,0
CCCCCCCCC[n+]1cccc(C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OCC)c1.[Br-],CI,0
Nc1ncnc2c1ncn2C1COC(CO)C1CO,CI,0
COc1cc(C2c3c(ccc4ccccc34)C(=O)C3CCC(=O)N32)cc(OC)c1OC,CI,0
COc1cc2c(c(O)c1OC)C(=O)C1CCC(=O)N1C2c1cccc2ccccc12,CI,0
COc1cc(C2c3cc4c(cc3C(=O)C3CCC(=O)N32)OCO4)cc(OC)c1O,CI,0
COc1cc(C2c3cccc4cccc(c34)C3CCC(=O)N32)cc(O)c1O,CM,1
COc1cc2c(c(O)c1OC)CC1CCC(=O)N1C2c1cccc2ccccc12,CI,0
CC(=O)O.Nc1nc(N)c(C2=CCNCC2)c(O)n1,CI,0
COc1ccc2nc3cc(Cl)ccc3c(NCCCN(C)CCCNc3ccc4ncn5c6ccccc6c(=O)c3c45)c2c1.Cl,CI,0
CS(=O)(=O)O.O=c1c2ccccc2n2nnc3ccc(NCCCNCCNCCCNc4ccc5nnn6c7ccccc7c(=O)c4c56)c1c32,CI,0
O=C(O)c1cccc(Nc2c(C(=O)O)cccc2[N+](=O)[O-])c1,CI,0
O=C(Nc1sccc1S(=O)(=O)c1ccccc1)c1cccnc1,CI,0
COC(=O)CC(=O)Nc1sccc1S(=O)(=O)c1ccccc1,CI,0
CC(=O)Nc1sc(Br)cc1S(=O)(=O)c1ccc(Cl)cc1,CI,0
CC(=O)Nc1sc([N+](=O)[O-])cc1S(=O)(=O)c1ccc(Cl)cc1,CI,0
Cc1c(S(=O)(=O)c2ccccc2)c(N)n(CCN(C)C)c1C,CI,0
CC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1CCN(C)C,CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4c3cc([N+](C)(C)Cc3ccc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC.O=S(=O)([O-])C(F)(F)F,CI,0
COC(OC)C1OCC(n2cnc3c(N)ncnc32)C1O,CI,0
COC(OC)C(O)C1OC=CC1n1cnc2c(N)ncnc21,CI,0
COC(OC)C1OC(CO)C(n2ccc(=N)[nH]c2=O)C1O,CI,0
COC(OC)C1OCC(n2cc(F)c(=O)[nH]c2=O)C1O,CI,0
OCC1C(O)C(O)C2SCCN12,CI,0
CCCCCCCCCCCCCCCCCCOCC(CO[PH](=O)O)OCCCCCCCCCCCCCCCCCC,CI,0
Cc1c2ccc(Cl)cc2nc2ccc(OCCNC(=O)C(CCCNC(=N)N)NC(=O)OC(C)(C)C)cc12.Cl,CI,0
CC1Cc2c(Br)nc(N)nc2NC1=O,CI,0
OC(c1ccc(F)cc1)C(F)(F)c1nc2ccccc2o1,CI,0
Cc1cc(C)c2c(c1)CC1(Cc3cc(C)c(C)cc3C1=O)C2=O,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1ccc3ccccc3c1C2=O,CI,0
N#Cc1c(N)c(C(=O)Nc2ccc(Cl)cc2)n2c1CCC2,CI,0
CC(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccc(Cl)cc1)CCC2,CI,0
CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccc(Cl)cc1)CCC2,CI,0
N#Cc1c(N=CC=Cc2ccccc2)c(C(=O)Nc2ccccc2)n2c1CCC2,CI,0
CC(=O)Nc1c(C#N)c2n(c1C(=O)O)CCC2,CI,0
O=C(O)CN1CCN2CCOCCOCCN(CC1)CCN(CC(=O)O)CC2,CI,0
O=C(O)CN1CCN2CCCCCCCCN(CC1)CCN(CC(=O)O)CC2,CI,0
O=C(CN1CCNCCN(CC(=O)N2CCCCC2)CCNCC1)N1CCCCC1,CI,0
O=C(OCc1ccccc1)N1CCNCCNCCN(C(=O)OCc2ccccc2)CCNCC1,CI,0
Cc1c(C)c2c(c(N)c1C#N)C(=O)N(NC(=O)c1ccccc1)C2=O,CI,0
N#Cc1c(N=Cc2ccccc2)c(C(=O)Nc2ccccc2)n2c1CCCC2,CI,0
Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)C3=CNc1ccccn1)C(=CNc1ccccn1)C(=O)C(O)=C2C(C)C,CI,0
CC(C)=CCCC(C)C1=C(O)C(O)C(C)=C2N=C(c3ccccc3)C(=O)OC21,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(N)C1=O,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2I)C1=O,CI,0
CNC1=C(C)C(=O)C(O)=C(C(C)CCC=C(C)C)C1=O,CI,0
CC(C)=CCCC(C)c1c2nc3ccccc3sc-2c(C)c(=O)c1O,CI,0
CC(C)=CCCC(C)C1=C(Nc2ccccc2F)C(=O)C(C)=C(O)C1=O,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2Cl)C1=O,CI,0
CC(C)=CCCC(C)c1c2ncc[nH]c-2c(C)c(=O)c1O,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2Br)C1=O,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(NC(C)c2ccccc2)C1=O,CI,0
Cn1c(CNc2ccc(-c3n[nH]c(=S)n3C)cc2)n[nH]c1=S,CI,0
Oc1c(OCc2nnc(CCCCCCCCc3nnc(COc4ccc5ccccc5c4O)o3)o2)ccc2ccccc12,CI,0
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C,CI,0
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,CI,0
CC(C)(C)C(O)=Cc1nc2cc(F)c(F)cc2nc1O,CI,0
O=CC12CCCN1CCC2,CI,0
CCC1(c2ccc(OC)c(OC)c2)CCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0
CCC1(Cc2ccc(OC)c(OC)c2)C(OC(C)=O)C(OCc2ccccc2)ON2OC(C(=O)OC)CC21,CI,0
CCOC(=O)c1c(NC(=O)Nc2ccccc2)c(C(N)=O)c2n1CCCCC2,CI,0
Fc1cc(-c2ncc(Cl)cc2Cl)c2cccccc1-2,CI,0
CC1(C)SC(CCCCCCCCCCCNC2=NCCCCCCCCCCC2)=NC1C(=O)O,CI,0
N=C(N)NC(P(=O)(O)O)P(=O)(O)O.[NaH],CI,0
Cc1nc(CC2C(CO[Si](C)(C)C(C)(C)C)OC(n3ccc(=O)[nH]c3=O)C2O[Si](C)(C)C(C)(C)C)no1,CI,0
Cc1cc(C)c(C2=NOC(c3ccccc3)(c3cc(=O)n(-c4ccccc4)s3)O2)c(C)c1,CM,1
CC1(C)C2CC1C(C(O)C1c3cc(-c4ccccn4)ncc3C3CC1C3(C)C)c1cc(-c3ccccn3)ncc12,CI,0
CSc1nc(=O)c2nc(-c3cccs3)c(-c3cccs3)nc2n1C,CI,0
COc1c(C(=O)CC2c3c(cc4oc(C)cc(=O)c4c3OC)OC(=N)C2c2nc3ccccc3[nH]2)c(O)c(OC)c2occc12,CA,1
CN(C)CCCSCC(COc1nccc(-c2ccc(-c3ccc(-c4ccnc(OCC(CSCCCN(C)C)SCCCN(C)C)n4)s3)s2)n1)SCCCN(C)C,CM,1
CC1=C(C)C2(C#N)C(=O)N3C(=NC(c4ccco4)NC3c3ccco3)C2(C#N)C(c2ccco2)N1,CI,0
COC(=O)c1ccc(CON=C(c2ccccc2)c2cccnc2)cc1,CI,0
CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC1CO,CI,0
CNc1ccc(N)cc1C(=O)N1CCCC1CO,CI,0
CNc1cc(Cl)ccc1C(=O)N1CCCC1CO,CI,0
CSc1nc(Cl)c2c(n1)Sc1nc3ccccc3n1N=C2,CI,0
CSc1nc(Cl)c2c(n1)Sc1nc3ccccc3n1C2O,CI,0
CSc1nc(Cl)c2c(n1)Sc1nc3cc4c(cc3n1C2O)OCCO4,CI,0
CCOC(=O)c1sc2nc(SC)nc(N3CCCCC3)c2c1N,CI,0
Clc1ccc(-c2nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3[nH]2)cc1,CI,0
Cc1cn(CC2=NCCN2)c(=O)[nH]c1=O.Cl,CI,0
Cc1cn(CC2=NCC(C)N2)c(=O)[nH]c1=O.Cl,CI,0
CCOC(=O)C1(CC=CCBr)CCc2ccccc2C1=O,CI,0
CCSc1cc(C(=O)OC)c2n(c1=O)CCCC2,CI,0
Cc1ccc(S(=O)(=O)N2CCc3cc(O)c([N+](=O)[O-])cc32)cc1,CI,0
O=C1CCC2SC1CCC2=O,CI,0
C=C=C(CC(CC(=C)Br)(C(=O)OC)C(=O)OC)S(=O)(=O)c1ccccc1,CI,0
CC1=NNC(=N)NC1=CC(Sc1ccc(Cl)cc1)c1c(O)ccc2ccccc12,CI,0
COc1cc(C=Cc2nc(NC(=S)Nc3ccccc3)nnc2C)cc(OC)c1OC,CI,0
Cc1nnc(N)nc1C=Cc1c(O)ccc2ccccc12,CI,0
COc1cc(Nc2cnc3cc(F)c(F)cc3n2)cc(OC)c1OC,CI,0
CCOC(=O)c1nc2cc(F)c(F)cc2nc1NCc1cc(OC)c(OC)c(OC)c1,CI,0
CCOC(=O)Cc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1,CI,0
O=C(O)Cc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1,CI,0
CCOC(=O)Cc1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1,CM,1
CCCCC1C=Cn2c(=O)oc3c(OC(C)C)c(C)c(O)c1c32,CI,0
C1=CSSC=CSS1,CI,0
COC(=O)C1=C(O)c2ccc(Cl)cc2S(=O)(=O)N1C,CI,0
O=C1CCC2(CC1CC(Sc1ccccc1)Sc1ccccc1)OCCO2,CI,0
CC(c1ccccc1)N1COC2(C#Cc3ccc4c(c3)OCO4)CCCC12,CI,0
Cc1cc2ncc3c(=O)n(NS(=O)(=O)c4ccc(N)cc4)ccc3n2n1,CI,0
O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1Nc1ccccc1C(=O)NN1C(=O)c2ccccc2C1=O,CI,0
CCCCc1ccc(N2C(=O)c3cc(C)cnc3S2(=O)=O)cc1,CI,0
CC1(C)OC2COC3(C4OC(C)(C)OC4CO)OC(C)(C)OC3C2O1,CI,0
O=C(c1c(O)cc(O)cc1O)c1c(-c2ccc(O)cc2)oc2cc(O)c3c(c12)OC(c1ccc(O)cc1)C(O)C3,CM,1
O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NNC(=S)NC1CCCCC1,CI,0
COC(=O)Cn1c(=O)oc2nc(-c3ccccc3)cc(C(F)(F)F)c21,CI,0
CNC(=Nn1cnnc1)OC,CI,0
CC1=CSC(O)(c2ccc(Cl)cc2)c2noc(=O)n21,CI,0
C=CCOc1ccc(Sc2c(O)cc(-c3ccccc3)oc2=O)c(C(C)(C)C)c1,CI,0
COc1cc(C=C2SC(c3ccccc3)N(c3cc(Cl)ccc3Cl)C2=O)cc(OC)c1OC,CI,0
COc1cc(C=C2C(=O)N(Cc3ccccc3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC,CI,0
O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1c1cccc(Cl)c1,CI,0
O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1c1ccc(Cl)cc1,CI,0
O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1c1cccc([N+](=O)[O-])c1,CI,0
COc1ccccc1N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C1c1ccccc1,CI,0
COc1ccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)S(=O)(=O)C2c2ccccc2)cc1,CI,0
CC(=O)Nc1ccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)S(=O)(=O)C2c2ccccc2)cc1,CI,0
CC(=O)Nc1cccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)S(=O)(=O)C2c2ccccc2)c1,CI,0
COc1ccc(NC(C)=O)cc1N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C1c1ccccc1,CI,0
COc1ccc2c(ccc3c(C(=O)NCCCN(C)CCCNC(=O)c4cn(C)c5c4ccc4cc(OC)ccc45)cn(C)c32)c1,CI,0
O=c1[nH]c(=O)n(COCc2ccccc2)cc1Nc1ccc(Br)cc1,CI,0
Cc1ccccc1Nc1cn(CCOc2ccccc2)c(=O)n(CCOc2ccccc2)c1=O,CI,0
Cc1cccc(Nc2cn(CCOc3ccccc3)c(=O)n(CCOc3ccccc3)c2=O)c1,CI,0
O=c1c(Nc2ccccc2)cn(CCOc2ccc(Cl)cc2)c(=O)n1CCOc1ccc(Cl)cc1,CI,0
O=c1ccn(C2OC(CN(O)CCC3C(CO)OC(n4ccc(=O)[nH]c4=O)C3O)C(O)C2O)c(=O)[nH]1,CI,0
Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(CNC(=O)N(O)C3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
CN1C(=O)CC2CCCN2C1=O,CI,0
CCOC(=O)N1CCC2(CC1)CC(Sc1ccccc1)(C(C)=O)C(C)O2,CI,0
CCOC(=O)C=C1SC12C(C)(C)CCCC2(C)C,CI,0
CC(=O)OC1CN(S(=O)(=O)c2ccc(C)cc2)CC1C1CCCCC1,CI,0
CC(=O)OC1C(OC2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=CC12COCc1cc3c(cc12)OCO3,CI,0
CCC1(Cc2ccc(OC)c(OC)c2)C(OC(C)=O)C(OC2CCCC2(c2ccccc2)c2ccccc2)ON2OC(C3OCCO3)CC21,CI,0
CS(=O)(=O)c1ccc(C(=O)OC2C(=O)N3CCC4OC(O)C2C43)cc1,CI,0
CC(C)OC(=O)C=CC(=O)OC=C[N+](=O)[O-],CI,0
CC1(C)C2CCC1(C)C(O)C2Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CI,0
COC(=O)CP1(=O)OC2C(C3CCC2(C)C3(C)C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CI,0
CCC(C(=O)C(=O)C(CC)P1(=O)OC(C)(C)CN1C(C)(C)C)P1(=O)OC(C)(C)CN1C(C)(C)C,CI,0
CCC(C=O)P1(=O)OC(C)(C)CN1C(C)(C)C,CI,0
CCP1(=O)N(CC(C)(C)C)C(c2ccccc2)CC(c2ccccc2)N1CC(C)(C)C,CI,0
CCP1(=O)OC(C)(C)CN1C(C)(C)C,CI,0
CC(C(=O)COCc1ccccc1)P1(=O)OC(C)(C)CN1C(C)(C)C,CI,0
COC(=O)c1cc(C(=O)Nc2cc(Cc3cc(NC(=O)c4ccc(OC)c(C(=O)OC)c4)c(OC)c(C(=O)OC)c3)cc(C(=O)OC)c2OC)ccc1OC,CI,0
COC(=O)c1cc(C(=O)Nc2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(NC(=O)c4ccc(OC)c(C(=O)OC)c4)c(OC)c(C(=O)OC)c3)cc(C(=O)OC)c2OC)ccc1OC,CI,0
Cc1cc(C)c(C#N)c(SC(=S)NC(=O)c2ccccc2)n1,CI,0
O=C(C=Cc1ccc(-c2ccccc2)cc1)c1cccs1,CI,0
COc1ccc(C(=C2C(=O)N(c3ccccc3)C(=O)C2=C(C)C)c2ccc(OC)cc2)cc1,CI,0
COc1ccc(C=CC(=O)c2cc(OC)cc(OC)c2)cc1,CI,0
c1csc(-c2cscc2-c2ccsc2)c1,CI,0
c1cc(-c2ccsc2-c2ccsc2)cs1,CI,0
Cn1c(-c2ccccc2)cc(-c2cccs2)c1-c1ccsc1,CI,0
O=C(C=Cc1ccccc1)c1cccs1,CI,0
CC1(C)CC(=O)C(CC2C(=O)CC(C)(C)CC2=O)C(=O)C1,CI,0
O=C(C=CC(=O)c1cccs1)c1cccs1,CI,0
COc1cccc(-c2[nH]c3cc4c(cc3c(=O)c2C(=O)O)OCO4)c1,CI,0
Cc1cc2c(C)cc(O)nc2cc1N,CI,0
Cc1cc2c(-c3ccccc3)cc(O)nc2cc1N,CI,0
OC1=C(c2ccccc2)C2=NCCN2c2ccccc21,CI,0
OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCc3ccccc3CN21,CI,0
O=C1c2cc3ccccc3cc2C2(c3ccc(Cl)cc3)NCCN12,CI,0
Oc1ccc(-c2nn3c(CCCCCCCCc4nnc5sc(-c6ccc(O)cc6)nn45)nnc3s2)cc1,CM,1
O=c1c2cc(-c3ccccc3)cnc2sn1-c1ccc(Br)cc1,CM,1
CCOC1(OCC)NC(=N)C2(C#N)C3(C(=O)N(C(C)C)N=C3C)C12C#N,CI,0
FC(F)(Oc1ccccc1)c1nc2ccccc2o1,CI,0
FC(F)(Oc1ccc2ccccc2c1)c1nc2ccccc2o1,CI,0
Cc1cc(OC(F)(F)c2nc3ccccc3o2)cc(C)c1C,CM,1
CC(C)=CCCC(C)C=CC=C(C)C(=O)CCC1CC[N+]2(C)CCCCC12.[Cl-],CI,0
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O,CI,0
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O,CI,0
Cc1cn(C(Cc2ccccc2)OCCO)c(=O)[nH]c1=O,CI,0
O=S(=O)(O)c1ccc(O)c2ncc(Cl)cc12,CI,0
O=S(=O)(O)c1c(Cl)cc(O)c2ncccc12,CI,0
O=S(=O)(O)c1cc(Cl)c(O)c2ncc(Cl)cc12,CI,0
O=S(=O)(O)c1c(Cl)c(Cl)c(O)c2ncccc12,CI,0
O=P1(Oc2ccccc2)Cc2cnccc2CN1,CI,0
Cc1cc(OP2(=O)NCc3ncccc3O2)ccc1Cl,CI,0
CCOC(=O)c1cn(CC)c(=O)n2c1nc1ccccc12,CI,0
CCOC(=O)c1cn(-c2ccccc2)c(=S)n2c1nc1ccccc12,CI,0
CC1(C)OCC2OC3(C(O)CCO)OC(C)(C)OC3C2O1,CI,0
O=C1CC(O)c2c(Cl)sc(Cl)c21,CI,0
COc1ccc(-n2sc3ncc(-c4ccccc4)cc3c2=O)cc1,CM,1
CCCCCCC(=O)COP(=O)(OCC(=O)CCCCCC)OCC1CCC(n2cc(C)c(=O)[nH]c2=O)O1,CM,1
CC1C(=O)OC1C(O)CO,CI,0
Br.COc1ccc(-c2csc(=Nc3ccccc3)n2CC(O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
Cc1ccc(-c2csc(=Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2CCO)cc1,CI,0
Cc1cn(COCCCSc2ccccc2)c(=O)[nH]c1=O,CM,1
Cc1cn(COCCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O,CM,1
CCc1c(Cc2cc(C)cc(C)c2)n(COCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O,CA,1
Cc1cn(COCCS(=O)c2ccccc2)c(=O)[nH]c1=O,CI,0
N#CC1C(=O)Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2C12CCCCC2,CI,0
CC=CCC1(CC)Oc2cccnc2-n2cccc2C1=O,CI,0
O=c1c2ccccc2nc2sc(N=CC=Cc3ccccc3)nn12,CI,0
COC(=O)c1cc(C(=C(Cl)Cl)c2cc(C(=O)OC)c(OC)c(Br)c2C)c(C)c(Br)c1OC,CI,0
CCCCCC=C(c1cc(F)c(OC)c(C(=O)OC)c1)c1cc(F)c(OC)c(C(=O)OC)c1,CI,0
COC(=O)c1cc(C(=CCC(=O)NC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
COC(=O)CCCC=C(c1cc(C)c(OC)c(Br)c1)c1cc(C)c(OC)c(Br)c1,CI,0
COC(=O)c1cc(C(=O)c2cc(C(=O)OC)c(OC)c(Br)c2C)c(C)c(Br)c1OC,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CM,1
CCC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CA,1
Cc1cn(C2CC(OP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)C(CO)O2)c(=O)[nH]c1=O,CA,1
Cc1cc(S(=O)(=O)NC2=NCCN2Cc2ccccc2)c(S)cc1Cl,CI,0
COc1cc(C=C2CCC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,CI,0
CCN1CC(C)Cn2c(=S)[nH]c3cc(Br)cc1c32,CA,1
CCN1c2cc(Br)cc3[nH]c(=S)n(c23)CCC1C,CA,1
C=C(C)C1CCC2(CNC(=O)CC(C)(C)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(NC(=O)CC(C)(C)CC(=O)O)C(C)(C)C5CCC43C)C12,CI,0
Cc1cn(C(Cc2ccccc2)OCC[Se]c2ccccc2)c(=O)[nH]c1=O,CI,0
CN1CC(=Cc2cccs2)C(=O)C(=Cc2cccs2)C1,CI,0
Cc1ccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
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